2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one

C10H11F2NO2 — CID 116594175

IUPAC2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H11F2NO2/c1-15-5-9(13)10(14)6-2-7(11)4-8(12)3-6/h2-4,9H,5,13H2,1H3
InChIKeyDYKSJQYLZSLWKI-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.12
Rot. Bonds4

About 2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one

2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one (PubChem CID 116594175) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one
PubChem CID116594175
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H11F2NO2/c1-15-5-9(13)10(14)6-2-7(11)4-8(12)3-6/h2-4,9H,5,13H2,1H3
InChIKeyDYKSJQYLZSLWKI-UHFFFAOYSA-N
XLogP1.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one
CID 116594008
2-amino-1-(3,5-difluorophenyl)-5-methoxypentan-1-one
CID 116593859
2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one
CID 116594166
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
(2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one
CID 141396004
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methoxypropan-1-one
CID 107291086
2-amino-1-(3,5-difluorophenyl)pent-4-en-1-one
CID 116607060
2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one
CID 116567366
2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one
CID 116594171
2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one
CID 116594058
2-amino-1-(3,5-difluorophenyl)-3,3-dimethylbutan-1-one
CID 116611562
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-(3,5-difluorophenyl)-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one (CID 116594175) is 2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one is COCC(N)C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one?
The InChIKey is DYKSJQYLZSLWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-15-5-9(13)10(14)6-2-7(11)4-8(12)3-6/h2-4,9H,5,13H2,1H3.
What are the key properties of 2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one?
2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one has a molecular weight of 215.20 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one is sourced from PubChem (CID 116594175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).