2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one

C11H11F4NO2 — CID 107291086

IUPAC2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F4NO2/c1-18-5-9(16)10(17)6-2-3-8(12)7(4-6)11(13,14)15/h2-4,9H,5,16H2,1H3
InChIKeyMMSYWZWAEWNFJI-UHFFFAOYSA-N
MW265.21 g/mol
LogP2.00
Rot. Bonds4

About 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one

2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one (PubChem CID 107291086) has the molecular formula C11H11F4NO2 and a molecular weight of 265.21 g/mol. Its IUPAC name is 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one
PubChem CID107291086
Molecular FormulaC11H11F4NO2
Molecular Weight265.21 g/mol
Exact Mass265.07
IUPAC Name2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F4NO2/c1-18-5-9(16)10(17)6-2-3-8(12)7(4-6)11(13,14)15/h2-4,9H,5,16H2,1H3
InChIKeyMMSYWZWAEWNFJI-UHFFFAOYSA-N
XLogP2.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxybutan-1-one
CID 107290956
2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one
CID 116594008
[(2S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-oxopropan-2-yl] carbamate
CID 175153761
2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one
CID 116594175
3-methylbutyl 4-fluoro-3-(trifluoromethyl)benzoate
CID 63840621
dimethyl 2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl]propanedioate
CID 137473779
2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one
CID 116594171
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 66649987
2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one
CID 116594058
4-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one
CID 107291094
4-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-1-one
CID 107290977
2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one
CID 116594142

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one (CID 107291086) is 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one is COCC(N)C(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one?
The InChIKey is MMSYWZWAEWNFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO2/c1-18-5-9(16)10(17)6-2-3-8(12)7(4-6)11(13,14)15/h2-4,9H,5,16H2,1H3.
What are the key properties of 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one?
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one has a molecular weight of 265.21 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one is sourced from PubChem (CID 107291086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).