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

C13H6ClF3O — CID 43338232

IUPAC(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H6ClF3O/c14-8-2-3-9(11(16)6-8)13(18)7-1-4-10(15)12(17)5-7/h1-6H
InChIKeyDDIOQAKBGYCDML-UHFFFAOYSA-N
MW270.64 g/mol
LogP3.99
Rot. Bonds2

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

(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone (PubChem CID 43338232) has the molecular formula C13H6ClF3O and a molecular weight of 270.64 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
PubChem CID43338232
Molecular FormulaC13H6ClF3O
Molecular Weight270.64 g/mol
Exact Mass270.01
IUPAC Name(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H6ClF3O/c14-8-2-3-9(11(16)6-8)13(18)7-1-4-10(15)12(17)5-7/h1-6H
InChIKeyDDIOQAKBGYCDML-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561111
(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 107944691
(2-chlorofuran-3-yl)-(3,4-difluorophenyl)methanone
CID 106683705
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 115791516
(4-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609424
(3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone
CID 64985055
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(4-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 43160123

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone (CID 43338232) is (4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone is O=C(c1ccc(F)c(F)c1)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone?
The InChIKey is DDIOQAKBGYCDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3O/c14-8-2-3-9(11(16)6-8)13(18)7-1-4-10(15)12(17)5-7/h1-6H.
What are the key properties of (4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone?
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone has a molecular weight of 270.64 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 43338232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).