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

C13H5Cl2F3O — CID 107475826

IUPAC(2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1F)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H5Cl2F3O/c14-6-1-2-10(16)8(3-6)13(19)7-4-11(17)12(18)5-9(7)15/h1-5H
InChIKeyDUDXQHMEVBEUDN-UHFFFAOYSA-N
MW305.08 g/mol
LogP4.64
Rot. Bonds2

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

(2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone (PubChem CID 107475826) has the molecular formula C13H5Cl2F3O and a molecular weight of 305.08 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone
PubChem CID107475826
Molecular FormulaC13H5Cl2F3O
Molecular Weight305.08 g/mol
Exact Mass303.97
IUPAC Name(2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1F)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H5Cl2F3O/c14-6-1-2-10(16)8(3-6)13(19)7-4-11(17)12(18)5-9(7)15/h1-5H
InChIKeyDUDXQHMEVBEUDN-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 54.64
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

(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 107475658
(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477775
(2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone
CID 107475712
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
(5-chloro-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561677
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
(5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 105349259
5-chloro-2-fluorobenzoyl chloride
CID 2773604

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone (CID 107475826) is (2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone is O=C(c1cc(Cl)ccc1F)c1cc(F)c(F)cc1Cl.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone?
The InChIKey is DUDXQHMEVBEUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2F3O/c14-6-1-2-10(16)8(3-6)13(19)7-4-11(17)12(18)5-9(7)15/h1-5H.
What are the key properties of (2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone?
(2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone has a molecular weight of 305.08 g/mol, XLogP of 4.64, 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)-(5-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 107475826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).