1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one

C10H11F2NO — CID 116553856

IUPAC1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one
SMILESCNCC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C10H11F2NO/c1-13-6-8(14)5-7-3-2-4-9(11)10(7)12/h2-4,13H,5-6H2,1H3
InChIKeyZRARXPGUZAHLTI-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.30
Rot. Bonds4

About 1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one

1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one (PubChem CID 116553856) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one
PubChem CID116553856
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one
SMILESCNCC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C10H11F2NO/c1-13-6-8(14)5-7-3-2-4-9(11)10(7)12/h2-4,13H,5-6H2,1H3
InChIKeyZRARXPGUZAHLTI-UHFFFAOYSA-N
XLogP1.30
TPSA29.10 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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2,3-difluorophenyl)-4-methylhexan-2-one
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1-(2,3-difluorophenyl)-3-methyl-3-(methylamino)butan-2-one
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1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one
CID 62620288
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
5-chloro-1-(2,3-difluorophenyl)pentan-2-one
CID 66044922
1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-2-one
CID 79955039
1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one?
The IUPAC name of 1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one (CID 116553856) is 1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one is CNCC(=O)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one?
The InChIKey is ZRARXPGUZAHLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-13-6-8(14)5-7-3-2-4-9(11)10(7)12/h2-4,13H,5-6H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one?
1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one has a molecular weight of 199.20 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one is sourced from PubChem (CID 116553856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).