2-chloro-1-(2-chloro-5-methylphenyl)-2,2-difluoroethanone

C9H6Cl2F2O — CID 130136780

IUPAC2-chloro-1-(2-chloro-5-methylphenyl)-2,2-difluoroethanone
SMILESCc1ccc(Cl)c(C(=O)C(F)(F)Cl)c1
InChIInChI=1S/C9H6Cl2F2O/c1-5-2-3-7(10)6(4-5)8(14)9(11,12)13/h2-4H,1H3
InChIKeyWOZGSEOZZDVMKL-UHFFFAOYSA-N
MW239.05 g/mol
LogP3.66
Rot. Bonds2

About 2-chloro-1-(2-chloro-5-methylphenyl)-2,2-difluoroethanone

2-chloro-1-(2-chloro-5-methylphenyl)-2,2-difluoroethanone (PubChem CID 130136780) has the molecular formula C9H6Cl2F2O and a molecular weight of 239.05 g/mol. Its IUPAC name is 2-chloro-1-(2-chloro-5-methylphenyl)-2,2-difluoroethanone.

Molecular Properties

Compound Name2-chloro-1-(2-chloro-5-methylphenyl)-2,2-difluoroethanone
PubChem CID130136780
Molecular FormulaC9H6Cl2F2O
Molecular Weight239.05 g/mol
Exact Mass237.98
IUPAC Name2-chloro-1-(2-chloro-5-methylphenyl)-2,2-difluoroethanone
SMILESCc1ccc(Cl)c(C(=O)C(F)(F)Cl)c1
InChIInChI=1S/C9H6Cl2F2O/c1-5-2-3-7(10)6(4-5)8(14)9(11,12)13/h2-4H,1H3
InChIKeyWOZGSEOZZDVMKL-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.05
LogP ≤ 53.66
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-(2,4-dichlorophenyl)-2,2-difluoroethanone
CID 130477601
1-chloro-3-(2-chloro-4-methylphenyl)-1,1-difluoropropan-2-one
CID 106867096
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
CID 62961335
2-amino-1-(2-chloro-5-methylphenyl)ethanone
CID 83696787
(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 107475658
(2-chloro-5-methylphenyl) 2,2,2-trifluoroacetate
CID 91697466
(2-chloro-5-methylphenyl) trifluoromethanesulfonate
CID 130054801
(2-chlorophenyl)-(2-fluoro-4-methylphenyl)methanone
CID 114963346
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
(2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81110557
(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43159718
(2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone
CID 130608198

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-chloro-5-methylphenyl)-2,2-difluoroethanone?
The IUPAC name of 2-chloro-1-(2-chloro-5-methylphenyl)-2,2-difluoroethanone (CID 130136780) is 2-chloro-1-(2-chloro-5-methylphenyl)-2,2-difluoroethanone.
What is the SMILES notation for 2-chloro-1-(2-chloro-5-methylphenyl)-2,2-difluoroethanone?
The canonical SMILES for 2-chloro-1-(2-chloro-5-methylphenyl)-2,2-difluoroethanone is Cc1ccc(Cl)c(C(=O)C(F)(F)Cl)c1.
What is the InChIKey of 2-chloro-1-(2-chloro-5-methylphenyl)-2,2-difluoroethanone?
The InChIKey is WOZGSEOZZDVMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F2O/c1-5-2-3-7(10)6(4-5)8(14)9(11,12)13/h2-4H,1H3.
What are the key properties of 2-chloro-1-(2-chloro-5-methylphenyl)-2,2-difluoroethanone?
2-chloro-1-(2-chloro-5-methylphenyl)-2,2-difluoroethanone has a molecular weight of 239.05 g/mol, XLogP of 3.66, 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-chloro-5-methylphenyl)-2,2-difluoroethanone is sourced from PubChem (CID 130136780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).