3-chloro-1-[3-chloro-2-(difluoromethyl)phenyl]propan-1-one

C10H8Cl2F2O — CID 134622923

IUPAC3-chloro-1-[3-chloro-2-(difluoromethyl)phenyl]propan-1-one
SMILESO=C(CCCl)c1cccc(Cl)c1C(F)F
InChIInChI=1S/C10H8Cl2F2O/c11-5-4-8(15)6-2-1-3-7(12)9(6)10(13)14/h1-3,10H,4-5H2
InChIKeyFHNSLXKSZZBIOG-UHFFFAOYSA-N
MW253.07 g/mol
LogP4.09
Rot. Bonds4

About 3-chloro-1-[3-chloro-2-(difluoromethyl)phenyl]propan-1-one

3-chloro-1-[3-chloro-2-(difluoromethyl)phenyl]propan-1-one (PubChem CID 134622923) has the molecular formula C10H8Cl2F2O and a molecular weight of 253.07 g/mol. Its IUPAC name is 3-chloro-1-[3-chloro-2-(difluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-chloro-1-[3-chloro-2-(difluoromethyl)phenyl]propan-1-one
PubChem CID134622923
Molecular FormulaC10H8Cl2F2O
Molecular Weight253.07 g/mol
Exact Mass251.99
IUPAC Name3-chloro-1-[3-chloro-2-(difluoromethyl)phenyl]propan-1-one
SMILESO=C(CCCl)c1cccc(Cl)c1C(F)F
InChIInChI=1S/C10H8Cl2F2O/c11-5-4-8(15)6-2-1-3-7(12)9(6)10(13)14/h1-3,10H,4-5H2
InChIKeyFHNSLXKSZZBIOG-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.07
LogP ≤ 54.09
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

3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one
CID 175668326
2-[2-bromo-6-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid
CID 118992549
1-(2-bromo-3-hydroxyphenyl)-3-chloropropan-1-one
CID 118801894
1-(2-bromo-3-fluorophenyl)-3-chloropropan-1-one
CID 118841332
methyl 3-chloro-2-(3-chloropropanoyl)benzoate
CID 134648946
1-[5-bromo-2-(difluoromethyl)phenyl]-3-chloropropan-1-one
CID 134629389
1-(2-amino-6-chlorophenyl)-3-chloropropan-1-one
CID 118852598
3-chloro-2-(1-fluoroethyl)benzoic acid
CID 84671086
1-[2-bromo-4-(difluoromethyl)phenyl]-3-chloropropan-1-one
CID 119016324
3-chloro-1-[3-(chloromethyl)-2-methylphenyl]propan-1-one
CID 131499240
1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one
CID 114079761
ethyl 2-chloro-3-(3-chloropropanoyl)benzoate
CID 134643144

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[3-chloro-2-(difluoromethyl)phenyl]propan-1-one?
The IUPAC name of 3-chloro-1-[3-chloro-2-(difluoromethyl)phenyl]propan-1-one (CID 134622923) is 3-chloro-1-[3-chloro-2-(difluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-chloro-1-[3-chloro-2-(difluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 3-chloro-1-[3-chloro-2-(difluoromethyl)phenyl]propan-1-one is O=C(CCCl)c1cccc(Cl)c1C(F)F.
What is the InChIKey of 3-chloro-1-[3-chloro-2-(difluoromethyl)phenyl]propan-1-one?
The InChIKey is FHNSLXKSZZBIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F2O/c11-5-4-8(15)6-2-1-3-7(12)9(6)10(13)14/h1-3,10H,4-5H2.
What are the key properties of 3-chloro-1-[3-chloro-2-(difluoromethyl)phenyl]propan-1-one?
3-chloro-1-[3-chloro-2-(difluoromethyl)phenyl]propan-1-one has a molecular weight of 253.07 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[3-chloro-2-(difluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 134622923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).