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

C14H8ClF3O — CID 107475658

IUPAC(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cc(F)c(F)cc2Cl)c1
InChIInChI=1S/C14H8ClF3O/c1-7-2-3-11(16)9(4-7)14(19)8-5-12(17)13(18)6-10(8)15/h2-6H,1H3
InChIKeyNMXYZUGJZCVIFP-UHFFFAOYSA-N
MW284.66 g/mol
LogP4.30
Rot. Bonds2

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

(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone (PubChem CID 107475658) has the molecular formula C14H8ClF3O and a molecular weight of 284.66 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone
PubChem CID107475658
Molecular FormulaC14H8ClF3O
Molecular Weight284.66 g/mol
Exact Mass284.02
IUPAC Name(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cc(F)c(F)cc2Cl)c1
InChIInChI=1S/C14H8ClF3O/c1-7-2-3-11(16)9(4-7)14(19)8-5-12(17)13(18)6-10(8)15/h2-6H,1H3
InChIKeyNMXYZUGJZCVIFP-UHFFFAOYSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.66
LogP ≤ 54.30
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-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698
(2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81110078
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
(2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 107475846
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885
(3,5-dichloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methanone
CID 79786089
(4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970869
(2,5-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337442
(2-chlorophenyl)-(2-fluoro-4-methylphenyl)methanone
CID 114963346
ethane;2-fluoro-5-methylbenzoyl chloride
CID 143991429
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone (CID 107475658) is (2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone is Cc1ccc(F)c(C(=O)c2cc(F)c(F)cc2Cl)c1.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is NMXYZUGJZCVIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O/c1-7-2-3-11(16)9(4-7)14(19)8-5-12(17)13(18)6-10(8)15/h2-6H,1H3.
What are the key properties of (2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone?
(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone has a molecular weight of 284.66 g/mol, XLogP of 4.30, 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-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 107475658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).