(2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone

C13H5ClF4O — CID 107475712

IUPAC(2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)cc1Cl)c1cccc(F)c1F
InChIInChI=1S/C13H5ClF4O/c14-8-5-11(17)10(16)4-7(8)13(19)6-2-1-3-9(15)12(6)18/h1-5H
InChIKeyIGJWZIVVMNWXAM-UHFFFAOYSA-N
MW288.63 g/mol
LogP4.13
Rot. Bonds2

About (2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone

(2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone (PubChem CID 107475712) has the molecular formula C13H5ClF4O and a molecular weight of 288.63 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone
PubChem CID107475712
Molecular FormulaC13H5ClF4O
Molecular Weight288.63 g/mol
Exact Mass288.00
IUPAC Name(2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)cc1Cl)c1cccc(F)c1F
InChIInChI=1S/C13H5ClF4O/c14-8-5-11(17)10(16)4-7(8)13(19)6-2-1-3-9(15)12(6)18/h1-5H
InChIKeyIGJWZIVVMNWXAM-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.63
LogP ≤ 54.13
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-dimethoxyphenyl)-(2,3-difluorophenyl)methanone
CID 62649157
(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)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone
CID 106647466
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387
(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 107475658
(2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone
CID 57049068
(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481073
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone (CID 107475712) is (2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone is O=C(c1cc(F)c(F)cc1Cl)c1cccc(F)c1F.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone?
The InChIKey is IGJWZIVVMNWXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5ClF4O/c14-8-5-11(17)10(16)4-7(8)13(19)6-2-1-3-9(15)12(6)18/h1-5H.
What are the key properties of (2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone?
(2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone has a molecular weight of 288.63 g/mol, XLogP of 4.13, 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)-(2,3-difluorophenyl)methanone is sourced from PubChem (CID 107475712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).