1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol

C15H11ClF4O — CID 114454050

IUPAC1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc(C(F)(F)F)cc1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H11ClF4O/c16-12-6-10(7-13(17)8-12)14(21)5-9-1-3-11(4-2-9)15(18,19)20/h1-4,6-8,14,21H,5H2
InChIKeyRGTDVWKZMRPELE-UHFFFAOYSA-N
MW318.70 g/mol
LogP4.77
Rot. Bonds3

About 1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol

1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 114454050) has the molecular formula C15H11ClF4O and a molecular weight of 318.70 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID114454050
Molecular FormulaC15H11ClF4O
Molecular Weight318.70 g/mol
Exact Mass318.04
IUPAC Name1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc(C(F)(F)F)cc1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H11ClF4O/c16-12-6-10(7-13(17)8-12)14(21)5-9-1-3-11(4-2-9)15(18,19)20/h1-4,6-8,14,21H,5H2
InChIKeyRGTDVWKZMRPELE-UHFFFAOYSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.70
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 63519476
1-(3-chloro-5-fluorophenyl)-2-(2-fluorophenyl)ethanol
CID 114454010
2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351112
2-(4-iodophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65479087
1-bromo-3-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-5-fluorobenzene
CID 63542506
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 175586599
2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 63518260
1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 81316901
1-(3-chloro-5-fluorophenyl)-3-methylbutan-1-ol
CID 114454018
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 97294480
1-(3-chloro-5-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 114454141
1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 82683165

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol (CID 114454050) is 1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol is OC(Cc1ccc(C(F)(F)F)cc1)c1cc(F)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is RGTDVWKZMRPELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF4O/c16-12-6-10(7-13(17)8-12)14(21)5-9-1-3-11(4-2-9)15(18,19)20/h1-4,6-8,14,21H,5H2.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 318.70 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 114454050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).