2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one

C10H10F3NO2 — CID 116594142

IUPAC2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one
SMILESCOCC(N)C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C10H10F3NO2/c1-16-4-7(14)10(15)5-2-3-6(11)9(13)8(5)12/h2-3,7H,4,14H2,1H3
InChIKeyGTTRTVNJDXBLMJ-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.26
Rot. Bonds4

About 2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one

2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one (PubChem CID 116594142) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one
PubChem CID116594142
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one
SMILESCOCC(N)C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C10H10F3NO2/c1-16-4-7(14)10(15)5-2-3-6(11)9(13)8(5)12/h2-3,7H,4,14H2,1H3
InChIKeyGTTRTVNJDXBLMJ-UHFFFAOYSA-N
XLogP1.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(2,3,4-trifluorophenyl)pent-4-yn-1-one
CID 116606703
2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one
CID 116594008
4-methoxy-1-(2,3,4-trifluorophenyl)butan-1-one
CID 65092549
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one
CID 107291086
2,3,4-trifluorobenzenecarboperoxoic acid
CID 87231779
2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one
CID 116594175
2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one
CID 116594205
2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one
CID 116593953
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
2-amino-1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-1-one
CID 107514837
1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone
CID 164895051
2-amino-1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120988690

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one?
The IUPAC name of 2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one (CID 116594142) is 2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one.
What is the SMILES notation for 2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one?
The canonical SMILES for 2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one is COCC(N)C(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one?
The InChIKey is GTTRTVNJDXBLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-16-4-7(14)10(15)5-2-3-6(11)9(13)8(5)12/h2-3,7H,4,14H2,1H3.
What are the key properties of 2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one?
2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one has a molecular weight of 233.19 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-1-(2,3,4-trifluorophenyl)propan-1-one is sourced from PubChem (CID 116594142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).