4-amino-1-(3,4-difluorophenyl)butan-1-one

C10H11F2NO — CID 82341709

IUPAC4-amino-1-(3,4-difluorophenyl)butan-1-one
SMILESNCCCC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO/c11-8-4-3-7(6-9(8)12)10(14)2-1-5-13/h3-4,6H,1-2,5,13H2
InChIKeyBFQHPUWEAOEBSJ-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.89
Rot. Bonds4

About 4-amino-1-(3,4-difluorophenyl)butan-1-one

4-amino-1-(3,4-difluorophenyl)butan-1-one (PubChem CID 82341709) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 4-amino-1-(3,4-difluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(3,4-difluorophenyl)butan-1-one
PubChem CID82341709
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name4-amino-1-(3,4-difluorophenyl)butan-1-one
SMILESNCCCC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO/c11-8-4-3-7(6-9(8)12)10(14)2-1-5-13/h3-4,6H,1-2,5,13H2
InChIKeyBFQHPUWEAOEBSJ-UHFFFAOYSA-N
XLogP1.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-4-hydroxybutan-1-one
CID 82112355
5-(3,4-difluorophenyl)-5-oxopentanoate
CID 7009057
1-(3,4-difluorophenyl)heptan-1-one
CID 62622808
1-(3,4-difluorophenyl)-4-methoxybutan-1-one
CID 62622615
1-(aziridin-1-yl)-5-(3,4-difluorophenyl)pentane-1,5-dione
CID 94270185
4-amino-1-(3,4-dimethylphenyl)butan-1-one
CID 55267484
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979
1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one
CID 24726642
4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 82341441
4-[[4-(3,4-difluorophenyl)-4-oxobutanoyl]amino]butanoic acid
CID 119352843
7-amino-1-(3-chloro-4-methylphenyl)heptan-1-one
CID 107561224

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,4-difluorophenyl)butan-1-one?
The IUPAC name of 4-amino-1-(3,4-difluorophenyl)butan-1-one (CID 82341709) is 4-amino-1-(3,4-difluorophenyl)butan-1-one.
What is the SMILES notation for 4-amino-1-(3,4-difluorophenyl)butan-1-one?
The canonical SMILES for 4-amino-1-(3,4-difluorophenyl)butan-1-one is NCCCC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 4-amino-1-(3,4-difluorophenyl)butan-1-one?
The InChIKey is BFQHPUWEAOEBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-8-4-3-7(6-9(8)12)10(14)2-1-5-13/h3-4,6H,1-2,5,13H2.
What are the key properties of 4-amino-1-(3,4-difluorophenyl)butan-1-one?
4-amino-1-(3,4-difluorophenyl)butan-1-one has a molecular weight of 199.20 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,4-difluorophenyl)butan-1-one is sourced from PubChem (CID 82341709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).