1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol

C14H11ClF2O — CID 58392419

IUPAC1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol
SMILESCC(O)(c1ccc(F)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H11ClF2O/c1-14(18,9-2-5-11(16)6-3-9)12-7-4-10(15)8-13(12)17/h2-8,18H,1H3
InChIKeyHIBBPWQAXHXMLW-UHFFFAOYSA-N
MW268.69 g/mol
LogP3.87
Rot. Bonds2

About 1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol

1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol (PubChem CID 58392419) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol
PubChem CID58392419
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol
SMILESCC(O)(c1ccc(F)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H11ClF2O/c1-14(18,9-2-5-11(16)6-3-9)12-7-4-10(15)8-13(12)17/h2-8,18H,1H3
InChIKeyHIBBPWQAXHXMLW-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol
CID 62802529
1-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 55116404
1-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)ethanol
CID 62786766
1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83124846
2-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833204
1-(4-chlorophenyl)-1-(2-fluorophenyl)ethanol
CID 55026142
1-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)ethanol
CID 55116263
2-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 115401188
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 62802085
1-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 103047472
1-(2,3-dichlorophenyl)-1-(4-fluorophenyl)ethanol
CID 55116262
1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65316898

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol (CID 58392419) is 1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol is CC(O)(c1ccc(F)cc1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol?
The InChIKey is HIBBPWQAXHXMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/c1-14(18,9-2-5-11(16)6-3-9)12-7-4-10(15)8-13(12)17/h2-8,18H,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol?
1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol has a molecular weight of 268.69 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 58392419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).