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

C10H11F2NO2 — CID 84783750

IUPAC3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
SMILESCOc1cc(F)c(F)cc1C(=O)CCN
InChIInChI=1S/C10H11F2NO2/c1-15-10-5-8(12)7(11)4-6(10)9(14)2-3-13/h4-5H,2-3,13H2,1H3
InChIKeyLVJRONDSEMBGJY-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.50
Rot. Bonds4

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

3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one (PubChem CID 84783750) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
PubChem CID84783750
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
SMILESCOc1cc(F)c(F)cc1C(=O)CCN
InChIInChI=1S/C10H11F2NO2/c1-15-10-5-8(12)7(11)4-6(10)9(14)2-3-13/h4-5H,2-3,13H2,1H3
InChIKeyLVJRONDSEMBGJY-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one
CID 117326578
3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one
CID 117303668
3-amino-1-[5-(difluoromethyl)-2,4-dimethoxyphenyl]propan-1-one
CID 117401274
2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
CID 84806885
3-amino-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82288095
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
3-amino-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-1-one
CID 117337381
3-amino-1-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-one
CID 117371031
1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone
CID 146006170
1-(4,5-difluoro-2-methoxyphenyl)-2-methylpentan-1-one
CID 146006154
3-amino-1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)propan-1-one
CID 117392852

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one (CID 84783750) is 3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one is COc1cc(F)c(F)cc1C(=O)CCN.
What is the InChIKey of 3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one?
The InChIKey is LVJRONDSEMBGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-15-10-5-8(12)7(11)4-6(10)9(14)2-3-13/h4-5H,2-3,13H2,1H3.
What are the key properties of 3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one?
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one has a molecular weight of 215.20 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 84783750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).