2-(2,4-difluorophenyl)propanoyl chloride

C9H7ClF2O — CID 117047610

IUPAC2-(2,4-difluorophenyl)propanoyl chloride
SMILESCC(C(=O)Cl)c1ccc(F)cc1F
InChIInChI=1S/C9H7ClF2O/c1-5(9(10)13)7-3-2-6(11)4-8(7)12/h2-5H,1H3
InChIKeyBKWMZTKKQSHHHO-UHFFFAOYSA-N
MW204.60 g/mol
LogP2.83
Rot. Bonds2

About 2-(2,4-difluorophenyl)propanoyl chloride

2-(2,4-difluorophenyl)propanoyl chloride (PubChem CID 117047610) has the molecular formula C9H7ClF2O and a molecular weight of 204.60 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)propanoyl chloride.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)propanoyl chloride
PubChem CID117047610
Molecular FormulaC9H7ClF2O
Molecular Weight204.60 g/mol
Exact Mass204.02
IUPAC Name2-(2,4-difluorophenyl)propanoyl chloride
SMILESCC(C(=O)Cl)c1ccc(F)cc1F
InChIInChI=1S/C9H7ClF2O/c1-5(9(10)13)7-3-2-6(11)4-8(7)12/h2-5H,1H3
InChIKeyBKWMZTKKQSHHHO-UHFFFAOYSA-N
XLogP2.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.60
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 79729834
2-(2,5-dichlorophenyl)propanoyl chloride
CID 117047606
2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749
(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
CID 101087572
1-(2,4-difluorophenyl)ethyl acetate
CID 141098399
ethyl 2-chloro-2-(2,4-difluorophenyl)acetate
CID 62224736
2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene
CID 121459140
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
(2,4-difluorophenyl)methanediol
CID 91089962
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
N-(diethylsulfamoyl)-2-(2,4-difluorophenyl)propanamide
CID 75375028
N-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732061

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)propanoyl chloride?
The IUPAC name of 2-(2,4-difluorophenyl)propanoyl chloride (CID 117047610) is 2-(2,4-difluorophenyl)propanoyl chloride.
What is the SMILES notation for 2-(2,4-difluorophenyl)propanoyl chloride?
The canonical SMILES for 2-(2,4-difluorophenyl)propanoyl chloride is CC(C(=O)Cl)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)propanoyl chloride?
The InChIKey is BKWMZTKKQSHHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O/c1-5(9(10)13)7-3-2-6(11)4-8(7)12/h2-5H,1H3.
What are the key properties of 2-(2,4-difluorophenyl)propanoyl chloride?
2-(2,4-difluorophenyl)propanoyl chloride has a molecular weight of 204.60 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)propanoyl chloride is sourced from PubChem (CID 117047610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).