1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol

C14H11ClF2O — CID 62802085

IUPAC1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol
SMILESCC(O)(c1cccc(Cl)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H11ClF2O/c1-14(18,9-3-2-4-10(15)7-9)12-8-11(16)5-6-13(12)17/h2-8,18H,1H3
InChIKeyVNMPFVOPJVGJTA-UHFFFAOYSA-N
MW268.69 g/mol
LogP3.87
Rot. Bonds2

About 1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol

1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol (PubChem CID 62802085) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol
PubChem CID62802085
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol
SMILESCC(O)(c1cccc(Cl)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H11ClF2O/c1-14(18,9-3-2-4-10(15)7-9)12-8-11(16)5-6-13(12)17/h2-8,18H,1H3
InChIKeyVNMPFVOPJVGJTA-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-(3-chlorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 62787274
1-(2,5-difluorophenyl)-1-(3-methylphenyl)ethanol
CID 62801933
1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82771079
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 55120933
4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol
CID 13076846
1-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)ethanol
CID 58392419
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol
CID 106941192
3-[1-(2-chloro-5-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 105393988
1-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 55116404
1-(3-chlorophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol
CID 106971459
1-(4-fluoro-3-methylphenyl)-1-(3-fluorophenyl)ethanol
CID 62787951

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol?
The IUPAC name of 1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol (CID 62802085) is 1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol is CC(O)(c1cccc(Cl)c1)c1cc(F)ccc1F.
What is the InChIKey of 1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol?
The InChIKey is VNMPFVOPJVGJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/c1-14(18,9-3-2-4-10(15)7-9)12-8-11(16)5-6-13(12)17/h2-8,18H,1H3.
What are the key properties of 1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol?
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)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-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol is sourced from PubChem (CID 62802085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).