(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone

C13H7ClF2O — CID 64714669

IUPAC(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C13H7ClF2O/c14-11-3-1-2-10(12(11)16)13(17)8-4-6-9(15)7-5-8/h1-7H
InChIKeyFOAVYJXCWAHHIK-UHFFFAOYSA-N
MW252.65 g/mol
LogP3.85
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone

(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone (PubChem CID 64714669) has the molecular formula C13H7ClF2O and a molecular weight of 252.65 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone
PubChem CID64714669
Molecular FormulaC13H7ClF2O
Molecular Weight252.65 g/mol
Exact Mass252.02
IUPAC Name(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C13H7ClF2O/c14-11-3-1-2-10(12(11)16)13(17)8-4-6-9(15)7-5-8/h1-7H
InChIKeyFOAVYJXCWAHHIK-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.65
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone
CID 64712585
(3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone
CID 105348938
(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81267214
(3-chloro-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81266663
(3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone
CID 81220410
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
(3-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 64712749
[4-[4-(2-chlorobenzoyl)phenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium
CID 58693361
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
2-(4-fluorobenzoyl)benzoate
CID 5082940
[2-(4-fluorobenzoyl)phenyl]azanium
CID 101152012
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone (CID 64714669) is (3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone?
The InChIKey is FOAVYJXCWAHHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2O/c14-11-3-1-2-10(12(11)16)13(17)8-4-6-9(15)7-5-8/h1-7H.
What are the key properties of (3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone?
(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone has a molecular weight of 252.65 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 64714669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).