(3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone

C13H6Cl2F2O — CID 43167216

IUPAC(3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1c(F)cccc1F
InChIInChI=1S/C13H6Cl2F2O/c14-8-5-4-7(6-9(8)15)13(18)12-10(16)2-1-3-11(12)17/h1-6H
InChIKeyQTLQZEGNCHJMCT-UHFFFAOYSA-N
MW287.09 g/mol
LogP4.50
Rot. Bonds2

About (3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone

(3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone (PubChem CID 43167216) has the molecular formula C13H6Cl2F2O and a molecular weight of 287.09 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone
PubChem CID43167216
Molecular FormulaC13H6Cl2F2O
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Name(3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1c(F)cccc1F
InChIInChI=1S/C13H6Cl2F2O/c14-8-5-4-7(6-9(8)15)13(18)12-10(16)2-1-3-11(12)17/h1-6H
InChIKeyQTLQZEGNCHJMCT-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
(3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone
CID 2758085
(3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 113254913
(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 79736530
(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 113241963
(3,4-dichlorophenyl)-(3-hydroxyphenyl)methanone
CID 12639783
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
(2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338532
(2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone
CID 115481855
3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
CID 34819338
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
2-(3,4-dichlorophenyl)-6-fluorobenzoyl chloride
CID 134623207

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone (CID 43167216) is (3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)c1c(F)cccc1F.
What is the InChIKey of (3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone?
The InChIKey is QTLQZEGNCHJMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F2O/c14-8-5-4-7(6-9(8)15)13(18)12-10(16)2-1-3-11(12)17/h1-6H.
What are the key properties of (3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone?
(3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone has a molecular weight of 287.09 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 43167216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).