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

C9H6F6O — CID 11390886

IUPAC2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(c1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C9H6F6O/c10-8(11,12)6-3-1-5(2-4-6)7(16)9(13,14)15/h1-4,7,16H
InChIKeyHGNBZXDFLLAPLI-UHFFFAOYSA-N
MW244.13 g/mol
LogP3.30
Rot. Bonds1

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

2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 11390886) has the molecular formula C9H6F6O and a molecular weight of 244.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID11390886
Molecular FormulaC9H6F6O
Molecular Weight244.13 g/mol
Exact Mass244.03
IUPAC Name2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(c1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C9H6F6O/c10-8(11,12)6-3-1-5(2-4-6)7(16)9(13,14)15/h1-4,7,16H
InChIKeyHGNBZXDFLLAPLI-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Phenylethanol
CID 7409
Cuminol
CID 325
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
4-Methylbenzyl alcohol
CID 11505
Benzhydrol
CID 7037
1-Phenyl-1,2-ethanediol
CID 7149
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
p-Cymen-8-ol
CID 14529
1-Phenylethanol, (R)-
CID 637516
1-Phenylethanol, (S)-
CID 443135
2,3-Difluorobenzyl Alcohol
CID 447153

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanol (CID 11390886) is 2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanol is OC(c1ccc(C(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is HGNBZXDFLLAPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6O/c10-8(11,12)6-3-1-5(2-4-6)7(16)9(13,14)15/h1-4,7,16H.
What are the key properties of 2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanol?
2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 244.13 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 11390886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).