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

C15H11F5O — CID 107287061

IUPAC1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)(c1cccc(F)c1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H11F5O/c1-14(21,9-3-2-4-11(16)7-9)10-5-6-12(13(17)8-10)15(18,19)20/h2-8,21H,1H3
InChIKeyMGAKMCHUHQJGMB-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.24
Rot. Bonds2

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

1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol (PubChem CID 107287061) has the molecular formula C15H11F5O and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol
PubChem CID107287061
Molecular FormulaC15H11F5O
Molecular Weight302.24 g/mol
Exact Mass302.07
IUPAC Name1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)(c1cccc(F)c1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H11F5O/c1-14(21,9-3-2-4-11(16)7-9)10-5-6-12(13(17)8-10)15(18,19)20/h2-8,21H,1H3
InChIKeyMGAKMCHUHQJGMB-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787437
1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol
CID 107287051
1-(4-fluoro-3-methylphenyl)-1-(3-fluorophenyl)ethanol
CID 62787951
1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62787268
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787438
1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol
CID 62802529
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 62802085
1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol
CID 107287052
1-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanol
CID 62786600
1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787446
1-(3-fluorophenyl)-1-quinolin-8-ylethanol
CID 81216618

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol (CID 107287061) is 1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol is CC(O)(c1cccc(F)c1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is MGAKMCHUHQJGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5O/c1-14(21,9-3-2-4-11(16)7-9)10-5-6-12(13(17)8-10)15(18,19)20/h2-8,21H,1H3.
What are the key properties of 1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol?
1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 302.24 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 107287061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).