2-chloro-1-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone

C10H7Cl2F3O2 — CID 171030175

IUPAC2-chloro-1-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone
SMILESCOc1c(C(F)(F)F)ccc(Cl)c1C(=O)CCl
InChIInChI=1S/C10H7Cl2F3O2/c1-17-9-5(10(13,14)15)2-3-6(12)8(9)7(16)4-11/h2-3H,4H2,1H3
InChIKeyIIHSIZIHIOBTDG-UHFFFAOYSA-N
MW287.06 g/mol
LogP3.79
Rot. Bonds3

About 2-chloro-1-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone

2-chloro-1-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone (PubChem CID 171030175) has the molecular formula C10H7Cl2F3O2 and a molecular weight of 287.06 g/mol. Its IUPAC name is 2-chloro-1-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone
PubChem CID171030175
Molecular FormulaC10H7Cl2F3O2
Molecular Weight287.06 g/mol
Exact Mass285.98
IUPAC Name2-chloro-1-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone
SMILESCOc1c(C(F)(F)F)ccc(Cl)c1C(=O)CCl
InChIInChI=1S/C10H7Cl2F3O2/c1-17-9-5(10(13,14)15)2-3-6(12)8(9)7(16)4-11/h2-3H,4H2,1H3
InChIKeyIIHSIZIHIOBTDG-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

6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride
CID 171002787
2-chloro-1-[2-chloro-3-methoxy-6-(trifluoromethyl)phenyl]ethanone
CID 171030166
[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol
CID 171003011
1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
CID 123946716
2-chloro-1-[2-chloro-6-iodo-3-(trifluoromethyl)phenyl]ethanone
CID 171030134
2-chloro-1-[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 171028463
2-chloro-1-(6-chloro-2-fluoro-3-methylphenyl)ethanone
CID 130775413
3-chloro-1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-1-one
CID 134625977
2-(2-chloroacetyl)-3-methyl-6-(trifluoromethyl)benzaldehyde
CID 171014814
2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone
CID 171030308
2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone
CID 171009335
1-[3,4-bis(trifluoromethyl)phenyl]-2-chloroethanone
CID 22137994

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-chloro-1-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone (CID 171030175) is 2-chloro-1-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-chloro-1-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-chloro-1-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone is COc1c(C(F)(F)F)ccc(Cl)c1C(=O)CCl.
What is the InChIKey of 2-chloro-1-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is IIHSIZIHIOBTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F3O2/c1-17-9-5(10(13,14)15)2-3-6(12)8(9)7(16)4-11/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-1-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone?
2-chloro-1-[6-chloro-2-methoxy-3-(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-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171030175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).