2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one

C10H11F2NO2 — CID 84783776

IUPAC2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)C(C)N)cc(F)c1F
InChIInChI=1S/C10H11F2NO2/c1-5(13)10(14)6-3-7(11)9(12)8(4-6)15-2/h3-5H,13H2,1-2H3
InChIKeyIZDKCAHKRPMWOR-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.50
Rot. Bonds3

About 2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one

2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one (PubChem CID 84783776) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one
PubChem CID84783776
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)C(C)N)cc(F)c1F
InChIInChI=1S/C10H11F2NO2/c1-5(13)10(14)6-3-7(11)9(12)8(4-6)15-2/h3-5H,13H2,1-2H3
InChIKeyIZDKCAHKRPMWOR-UHFFFAOYSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 82048621
2-amino-1-(3,5-dimethoxy-4-methylsulfonylphenyl)propan-1-one
CID 84814063
1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone
CID 146011423
(2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one
CID 141396004
2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one
CID 82284127
(1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 97293354
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one
CID 82287555
1-(3,4-difluoro-5-methoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
CID 146006052
3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171868510
2-amino-3-(3-fluoro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116920466
2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 67606911

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one (CID 84783776) is 2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one is COc1cc(C(=O)C(C)N)cc(F)c1F.
What is the InChIKey of 2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one?
The InChIKey is IZDKCAHKRPMWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-5(13)10(14)6-3-7(11)9(12)8(4-6)15-2/h3-5H,13H2,1-2H3.
What are the key properties of 2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one?
2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one has a molecular weight of 215.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one is sourced from PubChem (CID 84783776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).