(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone

C13H6Cl2F2O — CID 107475645

IUPAC(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H6Cl2F2O/c14-8-3-1-7(2-4-8)13(18)9-5-11(16)12(17)6-10(9)15/h1-6H
InChIKeyIHWLNHWNUKWNAU-UHFFFAOYSA-N
MW287.09 g/mol
LogP4.50
Rot. Bonds2

About (2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone

(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone (PubChem CID 107475645) has the molecular formula C13H6Cl2F2O and a molecular weight of 287.09 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
PubChem CID107475645
Molecular FormulaC13H6Cl2F2O
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Name(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H6Cl2F2O/c14-8-3-1-7(2-4-8)13(18)9-5-11(16)12(17)6-10(9)15/h1-6H
InChIKeyIHWLNHWNUKWNAU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477758
(2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone
CID 107475826
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
(2-chloro-4,5-difluorophenyl)-(3,5-diaminophenyl)methanone
CID 107477770
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698
4-chloro-3-(4-chlorobenzoyl)benzoyl bromide
CID 87246560
(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 107475658
(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
CID 105398339
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094
(3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 113254913
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone (CID 107475645) is (2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone?
The InChIKey is IHWLNHWNUKWNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F2O/c14-8-3-1-7(2-4-8)13(18)9-5-11(16)12(17)6-10(9)15/h1-6H.
What are the key properties of (2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone?
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)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 (2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 107475645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).