1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol

C14H10ClF3O — CID 81263221

IUPAC1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)c(F)c1)c1cccc(Cl)c1F
InChIInChI=1S/C14H10ClF3O/c15-10-3-1-2-9(14(10)18)13(19)7-8-4-5-11(16)12(17)6-8/h1-6,13,19H,7H2
InChIKeyVBSJHEDWGBITAU-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.03
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol

1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol (PubChem CID 81263221) has the molecular formula C14H10ClF3O and a molecular weight of 286.68 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
PubChem CID81263221
Molecular FormulaC14H10ClF3O
Molecular Weight286.68 g/mol
Exact Mass286.04
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)c(F)c1)c1cccc(Cl)c1F
InChIInChI=1S/C14H10ClF3O/c15-10-3-1-2-9(14(10)18)13(19)7-8-4-5-11(16)12(17)6-8/h1-6,13,19H,7H2
InChIKeyVBSJHEDWGBITAU-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol
CID 64712924
1-(3-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047803
1-(3-chloro-2-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 64712768
1-(3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanol
CID 81263148
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 64712609
1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920732
2-(4-chloro-3-fluorophenyl)-1-(2,3-dichlorophenyl)ethanol
CID 107883512
2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
2-(4-chloro-3-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 107883504
1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 105397725
2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712763
1-(2-chloro-3-fluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894454

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol (CID 81263221) is 1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol is OC(Cc1ccc(F)c(F)c1)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol?
The InChIKey is VBSJHEDWGBITAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O/c15-10-3-1-2-9(14(10)18)13(19)7-8-4-5-11(16)12(17)6-8/h1-6,13,19H,7H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol?
1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol has a molecular weight of 286.68 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 81263221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).