2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone

C10H7Cl2F3O2 — CID 171028469

IUPAC2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
SMILESCOc1cc(Cl)cc(C(=O)CCl)c1C(F)(F)F
InChIInChI=1S/C10H7Cl2F3O2/c1-17-8-3-5(12)2-6(7(16)4-11)9(8)10(13,14)15/h2-3H,4H2,1H3
InChIKeyFPECYBFZUZSQEM-UHFFFAOYSA-N
MW287.06 g/mol
LogP3.79
Rot. Bonds3

About 2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone

2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 171028469) has the molecular formula C10H7Cl2F3O2 and a molecular weight of 287.06 g/mol. Its IUPAC name is 2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
PubChem CID171028469
Molecular FormulaC10H7Cl2F3O2
Molecular Weight287.06 g/mol
Exact Mass285.98
IUPAC Name2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
SMILESCOc1cc(Cl)cc(C(=O)CCl)c1C(F)(F)F
InChIInChI=1S/C10H7Cl2F3O2/c1-17-8-3-5(12)2-6(7(16)4-11)9(8)10(13,14)15/h2-3H,4H2,1H3
InChIKeyFPECYBFZUZSQEM-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.06
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 131526444
2-chloro-1-[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 171028463
2-chloro-1-[2-chloro-3-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 171028454
1-[5-chloro-3-ethoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171002694
1-(2-amino-5-chloro-3-methoxyphenyl)-2,2,2-trifluoroethanone
CID 15923091
2-chloro-1-[2-chloro-3-methoxy-6-(trifluoromethyl)phenyl]ethanone
CID 171030166
2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone
CID 82050544
2-chloro-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82048758
5-bromo-3-methoxy-2-(trifluoromethyl)benzoyl chloride
CID 171003829
1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one
CID 134627051
1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone
CID 84671092
1-[2-chloro-4-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 118999965

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone (CID 171028469) is 2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone is COc1cc(Cl)cc(C(=O)CCl)c1C(F)(F)F.
What is the InChIKey of 2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is FPECYBFZUZSQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F3O2/c1-17-8-3-5(12)2-6(7(16)4-11)9(8)10(13,14)15/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone?
2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 287.06 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171028469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).