2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one

C9H7Cl2FO — CID 118804223

IUPAC2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
SMILESCC(Cl)C(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C9H7Cl2FO/c1-5(10)9(13)7-4-6(12)2-3-8(7)11/h2-5H,1H3
InChIKeyWRSLTFLITVKXMN-UHFFFAOYSA-N
MW221.06 g/mol
LogP3.29
Rot. Bonds2

About 2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one

2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one (PubChem CID 118804223) has the molecular formula C9H7Cl2FO and a molecular weight of 221.06 g/mol. Its IUPAC name is 2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
PubChem CID118804223
Molecular FormulaC9H7Cl2FO
Molecular Weight221.06 g/mol
Exact Mass219.99
IUPAC Name2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
SMILESCC(Cl)C(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C9H7Cl2FO/c1-5(10)9(13)7-4-6(12)2-3-8(7)11/h2-5H,1H3
InChIKeyWRSLTFLITVKXMN-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.06
LogP ≤ 53.29
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

1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
1-[2-(bromomethyl)-5-fluorophenyl]-2-chloropropan-1-one
CID 131014142
1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one
CID 114029059
propan-2-yl 2-chloro-5-fluorobenzoate
CID 130658316
2-chloro-1-[2-(chloromethyl)-4-fluorophenyl]propan-1-one
CID 131075632
2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one
CID 134619728
2-chloro-1-(2-chlorophenyl)propan-1-one
CID 12808115
3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 105396542
2,3-dibromo-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 130136778
2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
CID 117291128
N-butan-2-yl-2-chloro-5-fluorobenzamide
CID 129166839
1-(4-bromo-5-chloro-2-fluorophenyl)-2-chloropropan-1-one
CID 105398210

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one?
The IUPAC name of 2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one (CID 118804223) is 2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one?
The canonical SMILES for 2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one is CC(Cl)C(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one?
The InChIKey is WRSLTFLITVKXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2FO/c1-5(10)9(13)7-4-6(12)2-3-8(7)11/h2-5H,1H3.
What are the key properties of 2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one?
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one has a molecular weight of 221.06 g/mol, XLogP of 3.29, 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-fluorophenyl)propan-1-one is sourced from PubChem (CID 118804223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).