(3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol

C13H8ClF3O — CID 64712600

IUPAC(3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1cccc(Cl)c1F
InChIInChI=1S/C13H8ClF3O/c14-9-3-1-2-8(12(9)17)13(18)7-4-5-10(15)11(16)6-7/h1-6,13,18H
InChIKeyUUUZVAOUNUNTDK-UHFFFAOYSA-N
MW272.65 g/mol
LogP3.84
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol

(3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol (PubChem CID 64712600) has the molecular formula C13H8ClF3O and a molecular weight of 272.65 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol
PubChem CID64712600
Molecular FormulaC13H8ClF3O
Molecular Weight272.65 g/mol
Exact Mass272.02
IUPAC Name(3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1cccc(Cl)c1F
InChIInChI=1S/C13H8ClF3O/c14-9-3-1-2-8(12(9)17)13(18)7-4-5-10(15)11(16)6-7/h1-6,13,18H
InChIKeyUUUZVAOUNUNTDK-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.65
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477927
(4-chloro-3-fluorophenyl)-(2,3-difluorophenyl)methanol
CID 63988180
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanol
CID 81266328
(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 62965110
(3,4-difluorophenyl)-(2-fluorophenyl)methanol
CID 61088873
1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 81263221
(3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol
CID 61088298
(3-chloro-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116543595
(4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol
CID 113397251
(4-chlorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477274
(4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol
CID 81264627
(3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol
CID 116505775

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol?
The IUPAC name of (3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol (CID 64712600) is (3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol is OC(c1ccc(F)c(F)c1)c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol?
The InChIKey is UUUZVAOUNUNTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3O/c14-9-3-1-2-8(12(9)17)13(18)7-4-5-10(15)11(16)6-7/h1-6,13,18H.
What are the key properties of (3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol?
(3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol has a molecular weight of 272.65 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol is sourced from PubChem (CID 64712600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).