2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol

C9H7F5O — CID 79016422

IUPAC2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(c1ccc(C(F)(F)F)cc1)C(F)F
InChIInChI=1S/C9H7F5O/c10-8(11)7(15)5-1-3-6(4-2-5)9(12,13)14/h1-4,7-8,15H
InChIKeyZNWZTFLGWBHAHW-UHFFFAOYSA-N
MW226.14 g/mol
LogP3.00
Rot. Bonds2

About 2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol

2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 79016422) has the molecular formula C9H7F5O and a molecular weight of 226.14 g/mol. Its IUPAC name is 2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID79016422
Molecular FormulaC9H7F5O
Molecular Weight226.14 g/mol
Exact Mass226.04
IUPAC Name2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(c1ccc(C(F)(F)F)cc1)C(F)F
InChIInChI=1S/C9H7F5O/c10-8(11)7(15)5-1-3-6(4-2-5)9(12,13)14/h1-4,7-8,15H
InChIKeyZNWZTFLGWBHAHW-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.14
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S,4S,5R)-1,5-dihydroxy-2,4-dimethyl-1,5-bis[4-(trifluoromethyl)phenyl]pentan-3-one
CID 177451871
(1S,2R,3S)-2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propane-1,3-diol
CID 102071267
2-bromo-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 162536699
2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 43566144
(1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 129373286
(2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 171161829
(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171160389
(1R)-2,2-difluoro-1-phenylethanol
CID 12955760
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 61100365
S-methyl (2S,3S)-3-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propanethioate
CID 10265545

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol (CID 79016422) is 2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol is OC(c1ccc(C(F)(F)F)cc1)C(F)F.
What is the InChIKey of 2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is ZNWZTFLGWBHAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5O/c10-8(11)7(15)5-1-3-6(4-2-5)9(12,13)14/h1-4,7-8,15H.
What are the key properties of 2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol?
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 226.14 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 79016422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).