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

C13H4Cl2F4O — CID 107475698

IUPAC(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)c(Cl)cc1F)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H4Cl2F4O/c14-7-3-12(19)11(18)1-5(7)13(20)6-2-10(17)8(15)4-9(6)16/h1-4H
InChIKeyONCHNSWIHJRZKL-UHFFFAOYSA-N
MW323.07 g/mol
LogP4.78
Rot. Bonds2

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

(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone (PubChem CID 107475698) has the molecular formula C13H4Cl2F4O and a molecular weight of 323.07 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
PubChem CID107475698
Molecular FormulaC13H4Cl2F4O
Molecular Weight323.07 g/mol
Exact Mass321.96
IUPAC Name(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)c(Cl)cc1F)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H4Cl2F4O/c14-7-3-12(19)11(18)1-5(7)13(20)6-2-10(17)8(15)4-9(6)16/h1-4H
InChIKeyONCHNSWIHJRZKL-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.07
LogP ≤ 54.78
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)-(5-chloro-2-fluorophenyl)methanone
CID 107475826
(2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477775
(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 107475658
(4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 82783216
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
(2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone
CID 107475712
2-(4-chloro-2,5-difluorophenyl)-2-oxoacetic acid
CID 117314948
(2-chloro-4,5-difluorophenyl)-(3,5-diaminophenyl)methanone
CID 107477770
(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971329
(4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 82772594
2-chloro-4,5-difluorobenzoic acid;hydrochloride
CID 67860765
(4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone
CID 114962814

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone (CID 107475698) is (2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone is O=C(c1cc(F)c(Cl)cc1F)c1cc(F)c(F)cc1Cl.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone?
The InChIKey is ONCHNSWIHJRZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4Cl2F4O/c14-7-3-12(19)11(18)1-5(7)13(20)6-2-10(17)8(15)4-9(6)16/h1-4H.
What are the key properties of (2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone?
(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone has a molecular weight of 323.07 g/mol, XLogP of 4.78, 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-chloro-2,5-difluorophenyl)methanone is sourced from PubChem (CID 107475698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).