1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one

C11H10ClF3O2 — CID 146009854

IUPAC1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(OC(F)(F)F)ccc1Cl
InChIInChI=1S/C11H10ClF3O2/c1-6(2)10(16)8-5-7(3-4-9(8)12)17-11(13,14)15/h3-6H,1-2H3
InChIKeyFKQLUOCHVKVGRX-UHFFFAOYSA-N
MW266.65 g/mol
LogP4.08
Rot. Bonds3

About 1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one

1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one (PubChem CID 146009854) has the molecular formula C11H10ClF3O2 and a molecular weight of 266.65 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
PubChem CID146009854
Molecular FormulaC11H10ClF3O2
Molecular Weight266.65 g/mol
Exact Mass266.03
IUPAC Name1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(OC(F)(F)F)ccc1Cl
InChIInChI=1S/C11H10ClF3O2/c1-6(2)10(16)8-5-7(3-4-9(8)12)17-11(13,14)15/h3-6H,1-2H3
InChIKeyFKQLUOCHVKVGRX-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-[2-chloro-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134619078
1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
CID 58180993
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
propan-2-yl 2-chloro-4-(trifluoromethoxy)benzoate
CID 133054468
2-bromo-1-[2-chloro-5-(trifluoromethoxy)phenyl]ethanone
CID 171028846
1-chloro-2-ethyl-4-(trifluoromethoxy)benzene
CID 70889099
2-bromo-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134619101
methyl 2-propan-2-yl-5-(trifluoromethoxy)benzoate
CID 18925610
1-chloro-2-methylsulfanyl-4-(trifluoromethoxy)benzene
CID 170998677
2-chloro-1-[5-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 119018232
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058
2-hydroxy-5-(trifluoromethoxy)benzoyl chloride
CID 134639003

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one (CID 146009854) is 1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one is CC(C)C(=O)c1cc(OC(F)(F)F)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one?
The InChIKey is FKQLUOCHVKVGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O2/c1-6(2)10(16)8-5-7(3-4-9(8)12)17-11(13,14)15/h3-6H,1-2H3.
What are the key properties of 1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one?
1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one has a molecular weight of 266.65 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 146009854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).