1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol

C16H14F4O — CID 107287051

IUPAC1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(C)(O)c2ccc(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C16H14F4O/c1-10-3-5-11(6-4-10)15(2,21)12-7-8-13(14(17)9-12)16(18,19)20/h3-9,21H,1-2H3
InChIKeySKQNCCZBWCKDIV-UHFFFAOYSA-N
MW298.28 g/mol
LogP4.41
Rot. Bonds2

About 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol

1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol (PubChem CID 107287051) has the molecular formula C16H14F4O and a molecular weight of 298.28 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol
PubChem CID107287051
Molecular FormulaC16H14F4O
Molecular Weight298.28 g/mol
Exact Mass298.10
IUPAC Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(C)(O)c2ccc(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C16H14F4O/c1-10-3-5-11(6-4-10)15(2,21)12-7-8-13(14(17)9-12)16(18,19)20/h3-9,21H,1-2H3
InChIKeySKQNCCZBWCKDIV-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol
CID 107287052
1-(3,4-difluorophenyl)-1-(4-methylphenyl)ethanol
CID 62801185
1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 107287061
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
1-(3-fluoro-5-methylphenyl)-1-(4-methylphenyl)ethanol
CID 79691276
ethyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropanoate
CID 107289959
1-(2-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 60793952
1-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60794087
1-(2,4-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 62802991
2-(2-fluoro-4-methylphenyl)propan-2-ol
CID 58514695
1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol
CID 62802529
3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol
CID 107290047

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol (CID 107287051) is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol is Cc1ccc(C(C)(O)c2ccc(C(F)(F)F)c(F)c2)cc1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol?
The InChIKey is SKQNCCZBWCKDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4O/c1-10-3-5-11(6-4-10)15(2,21)12-7-8-13(14(17)9-12)16(18,19)20/h3-9,21H,1-2H3.
What are the key properties of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol?
1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol has a molecular weight of 298.28 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 107287051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).