Home Other Building Blocks Perfluoro-tert-butanol

Perfluoro-tert-butanol

CAS No.:
2378-02-1
Catalog Number:
AG0035GO
Molecular Formula:
C4HF9O
Molecular Weight:
236.0358
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$57
- +
5g
98%
In Stock USA
United States
$129
- +
25g
98%
In Stock USA
United States
$348
- +
Product Description
Catalog Number:
AG0035GO
Chemical Name:
Perfluoro-tert-butanol
CAS Number:
2378-02-1
Molecular Formula:
C4HF9O
Molecular Weight:
236.0358
MDL Number:
MFCD00042092
IUPAC Name:
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol
InChI:
InChI=1S/C4HF9O/c5-2(6,7)1(14,3(8,9)10)4(11,12)13/h14H
InChI Key:
XZNOAVNRSFURIR-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
EC Number:
219-157-3
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.988g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.037g/mol
Monoisotopic Mass:
235.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Gas-phase basicities around and below water revisited. The journal of physical chemistry. A 20101007
Monitoring of biological one-electron reduction by (19)F NMR using hypoxia selective activation of an (19)F-labeled indolequinone derivative. Journal of the American Chemical Society 20091111
Second-generation tags for fluorous chemistry exemplified with a new fluorous Mitsunobu reagent. Organic letters 20080619
Preferential solvation and hydrogen bonding in mixed solvents. Angewandte Chemie (International ed. in English) 20080101
Fluorinated alcohol mediated control over cis vs trans opening of benzo[a]pyrene-7,8-diol 9,10-epoxides at C-10 by the exocyclic amino groups of O6-allyl protected deoxyguanosine and of deoxyadenosine. The Journal of organic chemistry 20070803
Solvent effects on hydrogen bonding. Angewandte Chemie (International ed. in English) 20070101
NMR investigation of the dihydrogen-bonding and proton-transfer equilibria between the hydrido carbonyl anion [HRe2(CO)9]- and fluorinated alcohols. Chemistry (Weinheim an der Bergstrasse, Germany) 20060123
First investigation of non-classical dihydrogen bonding between an early transition-metal hydride and alcohols: IR, NMR, and DFT approach. Chemistry (Weinheim an der Bergstrasse, Germany) 20040206
Kinetics and mechanism of the proton transfer to CpFe(dppe)H: absence of a direct protonation at the metal site. Journal of the American Chemical Society 20030910
Solute-solvent interactions probed by intermolecular NOEs. The Journal of organic chemistry 20030627
Intermolecular Overhauser effects in fluoroalcohol solutions of cyclo-alanylglycine. Biopolymers 20020815
Properties