2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone

C8H3Cl3F2O — CID 130477601

IUPAC2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone
SMILESO=C(c1ccc(Cl)cc1Cl)C(F)(F)Cl
InChIInChI=1S/C8H3Cl3F2O/c9-4-1-2-5(6(10)3-4)7(14)8(11,12)13/h1-3H
InChIKeyNKENCNWOHRCZMF-UHFFFAOYSA-N
MW259.47 g/mol
LogP4.01
Rot. Bonds2

About 2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone

2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone (PubChem CID 130477601) has the molecular formula C8H3Cl3F2O and a molecular weight of 259.47 g/mol. Its IUPAC name is 2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone.

Molecular Properties

Compound Name2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone
PubChem CID130477601
Molecular FormulaC8H3Cl3F2O
Molecular Weight259.47 g/mol
Exact Mass257.92
IUPAC Name2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone
SMILESO=C(c1ccc(Cl)cc1Cl)C(F)(F)Cl
InChIInChI=1S/C8H3Cl3F2O/c9-4-1-2-5(6(10)3-4)7(14)8(11,12)13/h1-3H
InChIKeyNKENCNWOHRCZMF-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(4-chloro-2-methylphenyl)-2,2-difluoroethanone
CID 91658436
1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one
CID 70254435
2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one
CID 102549756
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591
2-chloro-1-(2-chloro-5-methylphenyl)-2,2-difluoroethanone
CID 130136780
(2,4-dichlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291213
1-(2,4-dichlorophenyl)(214C)ethanone
CID 10750217
2,4-dichloro-N-methylidenebenzamide
CID 70837657
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
sodium (2,4-dichlorobenzoyl)azanide
CID 143659946

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone?
The IUPAC name of 2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone (CID 130477601) is 2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone.
What is the SMILES notation for 2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone?
The canonical SMILES for 2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone is O=C(c1ccc(Cl)cc1Cl)C(F)(F)Cl.
What is the InChIKey of 2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone?
The InChIKey is NKENCNWOHRCZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl3F2O/c9-4-1-2-5(6(10)3-4)7(14)8(11,12)13/h1-3H.
What are the key properties of 2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone?
2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone has a molecular weight of 259.47 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone is sourced from PubChem (CID 130477601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).