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

C15H11ClF4O — CID 114852064

IUPAC2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc(Cl)cc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11ClF4O/c16-12-5-4-9(13(17)8-12)7-14(21)10-2-1-3-11(6-10)15(18,19)20/h1-6,8,14,21H,7H2
InChIKeyCXHWSLZHFCXYFW-UHFFFAOYSA-N
MW318.70 g/mol
LogP4.77
Rot. Bonds3

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

2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 114852064) has the molecular formula C15H11ClF4O and a molecular weight of 318.70 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID114852064
Molecular FormulaC15H11ClF4O
Molecular Weight318.70 g/mol
Exact Mass318.04
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc(Cl)cc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11ClF4O/c16-12-5-4-9(13(17)8-12)7-14(21)10-2-1-3-11(6-10)15(18,19)20/h1-6,8,14,21H,7H2
InChIKeyCXHWSLZHFCXYFW-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-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 65317239
(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 121456490
2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115766334
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839745
1-(2-chloro-6-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114851983
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65148068
2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351095
2-(4-chloro-2-fluorophenyl)-1-[4-(dimethylamino)phenyl]ethanol
CID 114851952
2-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 115839714
2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115839677
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 114852064) is 2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol is OC(Cc1ccc(Cl)cc1F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is CXHWSLZHFCXYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF4O/c16-12-5-4-9(13(17)8-12)7-14(21)10-2-1-3-11(6-10)15(18,19)20/h1-6,8,14,21H,7H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol?
2-(4-chloro-2-fluorophenyl)-1-[3-(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 2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 114852064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).