Home Other Building Blocks 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethan-1-ol

2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethan-1-ol

CAS No.:
151509-97-6
Catalog Number:
AG01A68N
Molecular Formula:
C6H6F3NO
Molecular Weight:
165.1131
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Product Description
Catalog Number:
AG01A68N
Chemical Name:
2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethan-1-ol
CAS Number:
151509-97-6
Molecular Formula:
C6H6F3NO
Molecular Weight:
165.1131
MDL Number:
MFCD12964899
IUPAC Name:
2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
InChI:
InChI=1S/C6H6F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h1-3,5,10-11H
InChI Key:
KHICFDIULXLQAY-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)c1ccc[nH]1
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.04g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
165.115g/mol
Monoisotopic Mass:
165.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
meso-Trifluoromethyl-substituted expanded porphyrins. Chemistry (Weinheim an der Bergstrasse, Germany) 20060614
Properties