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Home Other Building Blocks 2-Propanol, 1,1,1-trifluoro-

2-Propanol, 1,1,1-trifluoro-

CAS No.:
374-01-6
Catalog Number:
AG00212B
Molecular Formula:
C3H5F3O
Molecular Weight:
114.0664
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$116
- +
5g
98%
In Stock USA
United States
$144
- +
Product Description
Catalog Number:
AG00212B
Chemical Name:
2-Propanol, 1,1,1-trifluoro-
CAS Number:
374-01-6
Molecular Formula:
C3H5F3O
Molecular Weight:
114.0664
MDL Number:
MFCD00014403
IUPAC Name:
1,1,1-trifluoropropan-2-ol
InChI:
InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3
InChI Key:
GILIYJDBJZWGBG-UHFFFAOYSA-N
SMILES:
CC(C(F)(F)F)O
EC Number:
206-773-2
NSC Number:
3637
Properties
Complexity:
57.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.029g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
114.067g/mol
Monoisotopic Mass:
114.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Biotransformation of 2,3,3,3-tetrafluoropropene (HFO-1234yf) in rabbits. Toxicology and applied pharmacology 20100501
Structural and conformational properties of 1,1,1-trifluoro-2-propanol investigated by microwave spectroscopy and quantum chemical calculations. The journal of physical chemistry. A 20051027
Properties