4-amino-1-(2,3-difluorophenyl)butan-2-one

C10H11F2NO — CID 116550836

IUPAC4-amino-1-(2,3-difluorophenyl)butan-2-one
SMILESNCCC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C10H11F2NO/c11-9-3-1-2-7(10(9)12)6-8(14)4-5-13/h1-3H,4-6,13H2
InChIKeyBGAUXMOVOVDBKP-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.43
Rot. Bonds4

About 4-amino-1-(2,3-difluorophenyl)butan-2-one

4-amino-1-(2,3-difluorophenyl)butan-2-one (PubChem CID 116550836) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 4-amino-1-(2,3-difluorophenyl)butan-2-one.

Molecular Properties

Compound Name4-amino-1-(2,3-difluorophenyl)butan-2-one
PubChem CID116550836
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name4-amino-1-(2,3-difluorophenyl)butan-2-one
SMILESNCCC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C10H11F2NO/c11-9-3-1-2-7(10(9)12)6-8(14)4-5-13/h1-3H,4-6,13H2
InChIKeyBGAUXMOVOVDBKP-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-2-one
CID 79955039
5-chloro-1-(2,3-difluorophenyl)pentan-2-one
CID 66044922
5-amino-1-(2,3-difluorophenyl)hexan-2-one
CID 116571825
6-amino-1-(2,3-difluorophenyl)heptan-2-one
CID 116610280
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
1-(2,3-difluorophenyl)-4-propoxybutan-2-one
CID 105091205
(2,3-difluorophenyl)methanamine
CID 2736941
1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one
CID 116553856
methyl 4-(2,3-difluorophenyl)-3-oxobutanoate
CID 45156338
1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one
CID 63034230
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
1-[1-(aminomethyl)cyclohexyl]-3-(2,3-difluorophenyl)propan-2-one
CID 116614499

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,3-difluorophenyl)butan-2-one?
The IUPAC name of 4-amino-1-(2,3-difluorophenyl)butan-2-one (CID 116550836) is 4-amino-1-(2,3-difluorophenyl)butan-2-one.
What is the SMILES notation for 4-amino-1-(2,3-difluorophenyl)butan-2-one?
The canonical SMILES for 4-amino-1-(2,3-difluorophenyl)butan-2-one is NCCC(=O)Cc1cccc(F)c1F.
What is the InChIKey of 4-amino-1-(2,3-difluorophenyl)butan-2-one?
The InChIKey is BGAUXMOVOVDBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-9-3-1-2-7(10(9)12)6-8(14)4-5-13/h1-3H,4-6,13H2.
What are the key properties of 4-amino-1-(2,3-difluorophenyl)butan-2-one?
4-amino-1-(2,3-difluorophenyl)butan-2-one has a molecular weight of 199.20 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,3-difluorophenyl)butan-2-one is sourced from PubChem (CID 116550836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).