5,5-difluoro-3-(methylamino)pentan-2-one

C6H11F2NO — CID 59493768

IUPAC5,5-difluoro-3-(methylamino)pentan-2-one
SMILESCNC(CC(F)F)C(C)=O
InChIInChI=1S/C6H11F2NO/c1-4(10)5(9-2)3-6(7)8/h5-6,9H,3H2,1-2H3
InChIKeyHUNCTVLUVINGER-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.82
Rot. Bonds4

About 5,5-difluoro-3-(methylamino)pentan-2-one

5,5-difluoro-3-(methylamino)pentan-2-one (PubChem CID 59493768) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 5,5-difluoro-3-(methylamino)pentan-2-one.

Molecular Properties

Compound Name5,5-difluoro-3-(methylamino)pentan-2-one
PubChem CID59493768
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name5,5-difluoro-3-(methylamino)pentan-2-one
SMILESCNC(CC(F)F)C(C)=O
InChIInChI=1S/C6H11F2NO/c1-4(10)5(9-2)3-6(7)8/h5-6,9H,3H2,1-2H3
InChIKeyHUNCTVLUVINGER-UHFFFAOYSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylamino-3-butanone
CID 21639832
2-(Methylamino)pentan-3-one
CID 12247385
(3S)-3-(methylamino)butan-2-one
CID 29920158
1,1,1-Trifluoro-3-(methylamino)butan-2-one
CID 18721931
3-Amino-1,1,1-trifluoropentan-2-one;hydrochloride
CID 18800999
3-Amino-1,1,1-trifluoropentan-2-one
CID 18801000
1-Fluoro-3-(methylamino)pentan-2-one
CID 21137007
N-[(3S)-1,1,1-trifluoro-2-oxopentan-3-yl]formamide
CID 60103141
N-[(3S)-1,1-difluoro-2-oxopentan-3-yl]formamide
CID 60103213
N-(1,1,1-trifluoro-2-oxopentan-3-yl)acetamide
CID 88125803
3-Amino-5,5-difluoropentan-2-one
CID 88918678
6,6-Difluoro-3-(methylamino)hex-4-yn-2-one
CID 90794576

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3-(methylamino)pentan-2-one?
The IUPAC name of 5,5-difluoro-3-(methylamino)pentan-2-one (CID 59493768) is 5,5-difluoro-3-(methylamino)pentan-2-one.
What is the SMILES notation for 5,5-difluoro-3-(methylamino)pentan-2-one?
The canonical SMILES for 5,5-difluoro-3-(methylamino)pentan-2-one is CNC(CC(F)F)C(C)=O.
What is the InChIKey of 5,5-difluoro-3-(methylamino)pentan-2-one?
The InChIKey is HUNCTVLUVINGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-4(10)5(9-2)3-6(7)8/h5-6,9H,3H2,1-2H3.
What are the key properties of 5,5-difluoro-3-(methylamino)pentan-2-one?
5,5-difluoro-3-(methylamino)pentan-2-one has a molecular weight of 151.16 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3-(methylamino)pentan-2-one is sourced from PubChem (CID 59493768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).