[2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate

C11H8F4O3 — CID 146009007

IUPAC[2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C11H8F4O3/c1-6(16)18-5-9(17)7-3-2-4-8(12)10(7)11(13,14)15/h2-4H,5H2,1H3
InChIKeySYPWDLFUBNVKEM-UHFFFAOYSA-N
MW264.17 g/mol
LogP2.59
Rot. Bonds3

About [2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate

[2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate (PubChem CID 146009007) has the molecular formula C11H8F4O3 and a molecular weight of 264.17 g/mol. Its IUPAC name is [2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate
PubChem CID146009007
Molecular FormulaC11H8F4O3
Molecular Weight264.17 g/mol
Exact Mass264.04
IUPAC Name[2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C11H8F4O3/c1-6(16)18-5-9(17)7-3-2-4-8(12)10(7)11(13,14)15/h2-4H,5H2,1H3
InChIKeySYPWDLFUBNVKEM-UHFFFAOYSA-N
XLogP2.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dimethoxyphosphoryl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 86609913
3-fluoro-2-(trifluoromethyl)benzamide
CID 2774778
[1-[3-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-oxopropan-2-yl] acetate
CID 146009028
3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide
CID 178112374
1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009039
2-ethyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]butan-1-one
CID 146009023
1-[3-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862183
2,2,2-trichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 146009003
[2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate
CID 146007393
1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105101809
2,2,3,3,4,4,5,5,5-nonafluoro-1-[3-fluoro-2-(trifluoromethyl)phenyl]pentan-1-one
CID 146009000
2-[2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl]cyclohept-2-en-1-one
CID 67364909

Frequently Asked Questions

What is the IUPAC name of [2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate?
The IUPAC name of [2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate (CID 146009007) is [2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate?
The canonical SMILES for [2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate is CC(=O)OCC(=O)c1cccc(F)c1C(F)(F)F.
What is the InChIKey of [2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate?
The InChIKey is SYPWDLFUBNVKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4O3/c1-6(16)18-5-9(17)7-3-2-4-8(12)10(7)11(13,14)15/h2-4H,5H2,1H3.
What are the key properties of [2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate?
[2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate has a molecular weight of 264.17 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate is sourced from PubChem (CID 146009007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).