2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol

C14H11ClF2O — CID 60797621

IUPAC2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol
SMILESOC(Cc1cccc(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11ClF2O/c15-11-3-1-2-9(6-11)7-14(18)10-4-5-12(16)13(17)8-10/h1-6,8,14,18H,7H2
InChIKeyBQQFRIQLOIHEDX-UHFFFAOYSA-N
MW268.69 g/mol
LogP3.89
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol

2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol (PubChem CID 60797621) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol
PubChem CID60797621
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol
SMILESOC(Cc1cccc(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11ClF2O/c15-11-3-1-2-9(6-11)7-14(18)10-4-5-12(16)13(17)8-10/h1-6,8,14,18H,7H2
InChIKeyBQQFRIQLOIHEDX-UHFFFAOYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-(4-fluorophenyl)ethanol
CID 60797606
2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
CID 115527783
2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 62607593
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 60798270
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 62503763
2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol
CID 107978121
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82919458
2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol
CID 63750366
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol
CID 64712924
1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-fluorobenzene
CID 55225424
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81370353

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol (CID 60797621) is 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol is OC(Cc1cccc(Cl)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol?
The InChIKey is BQQFRIQLOIHEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/c15-11-3-1-2-9(6-11)7-14(18)10-4-5-12(16)13(17)8-10/h1-6,8,14,18H,7H2.
What are the key properties of 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol?
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol has a molecular weight of 268.69 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 60797621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).