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

C10H7Cl2F3O2 — CID 134617645

IUPAC2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one
SMILESCC(Cl)C(=O)c1cccc(Cl)c1OC(F)(F)F
InChIInChI=1S/C10H7Cl2F3O2/c1-5(11)8(16)6-3-2-4-7(12)9(6)17-10(13,14)15/h2-5H,1H3
InChIKeyQZBWKXLLMKGCIW-UHFFFAOYSA-N
MW287.06 g/mol
LogP4.05
Rot. Bonds3

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

2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one (PubChem CID 134617645) has the molecular formula C10H7Cl2F3O2 and a molecular weight of 287.06 g/mol. Its IUPAC name is 2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one
PubChem CID134617645
Molecular FormulaC10H7Cl2F3O2
Molecular Weight287.06 g/mol
Exact Mass285.98
IUPAC Name2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one
SMILESCC(Cl)C(=O)c1cccc(Cl)c1OC(F)(F)F
InChIInChI=1S/C10H7Cl2F3O2/c1-5(11)8(16)6-3-2-4-7(12)9(6)17-10(13,14)15/h2-5H,1H3
InChIKeyQZBWKXLLMKGCIW-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
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

2-chloro-1-[3-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134619579
2-chloro-1-[2-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]propan-1-one
CID 134619492
2-chloro-1-(2-chlorophenyl)propan-1-one
CID 12808115
1-(2-amino-3-chlorophenyl)-2-chloropropan-1-one
CID 24894470
3-chloro-2-(trifluoromethoxy)phenol
CID 67274818
ethyl 2-(2-chloropropanoyl)-3-(trifluoromethoxy)benzoate
CID 134644964
2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134619731
2-chloro-1-[2-(difluoromethoxy)-6-(trifluoromethoxy)phenyl]propan-1-one
CID 134619510
1-[2,3-bis(trifluoromethylsulfanyl)phenyl]-2-chloropropan-1-one
CID 166640766
1-[3-bromo-2-(difluoromethoxy)phenyl]-2-chloropropan-1-one
CID 134625182
2-bromo-1-[3-chloro-2-(difluoromethoxy)phenyl]propan-1-one
CID 134619168
2-chloro-1-[5-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 119018232

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one?
The IUPAC name of 2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one (CID 134617645) is 2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for 2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for 2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one is CC(Cl)C(=O)c1cccc(Cl)c1OC(F)(F)F.
What is the InChIKey of 2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one?
The InChIKey is QZBWKXLLMKGCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F3O2/c1-5(11)8(16)6-3-2-4-7(12)9(6)17-10(13,14)15/h2-5H,1H3.
What are the key properties of 2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one?
2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one has a molecular weight of 287.06 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 134617645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).