(3S)-5,5,5-trifluoro-3-(methylamino)pentan-2-one

C6H10F3NO — CID 121246459

IUPAC(3S)-5,5,5-trifluoro-3-(methylamino)pentan-2-one
SMILESCN[C@@H](CC(F)(F)F)C(C)=O
InChIInChI=1S/C6H10F3NO/c1-4(11)5(10-2)3-6(7,8)9/h5,10H,3H2,1-2H3/t5-/m0/s1
InChIKeyRSRKRZNJKMIZGQ-YFKPBYRVSA-N
MW169.15 g/mol
LogP1.12
Rot. Bonds3

About (3S)-5,5,5-trifluoro-3-(methylamino)pentan-2-one

(3S)-5,5,5-trifluoro-3-(methylamino)pentan-2-one (PubChem CID 121246459) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is (3S)-5,5,5-trifluoro-3-(methylamino)pentan-2-one.

Molecular Properties

Compound Name(3S)-5,5,5-trifluoro-3-(methylamino)pentan-2-one
PubChem CID121246459
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name(3S)-5,5,5-trifluoro-3-(methylamino)pentan-2-one
SMILESCN[C@@H](CC(F)(F)F)C(C)=O
InChIInChI=1S/C6H10F3NO/c1-4(11)5(10-2)3-6(7,8)9/h5,10H,3H2,1-2H3/t5-/m0/s1
InChIKeyRSRKRZNJKMIZGQ-YFKPBYRVSA-N
XLogP1.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Difluoro-3-(methylamino)pentan-2-one
CID 59493768
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

Frequently Asked Questions

What is the IUPAC name of (3S)-5,5,5-trifluoro-3-(methylamino)pentan-2-one?
The IUPAC name of (3S)-5,5,5-trifluoro-3-(methylamino)pentan-2-one (CID 121246459) is (3S)-5,5,5-trifluoro-3-(methylamino)pentan-2-one.
What is the SMILES notation for (3S)-5,5,5-trifluoro-3-(methylamino)pentan-2-one?
The canonical SMILES for (3S)-5,5,5-trifluoro-3-(methylamino)pentan-2-one is CN[C@@H](CC(F)(F)F)C(C)=O.
What is the InChIKey of (3S)-5,5,5-trifluoro-3-(methylamino)pentan-2-one?
The InChIKey is RSRKRZNJKMIZGQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-4(11)5(10-2)3-6(7,8)9/h5,10H,3H2,1-2H3/t5-/m0/s1.
What are the key properties of (3S)-5,5,5-trifluoro-3-(methylamino)pentan-2-one?
(3S)-5,5,5-trifluoro-3-(methylamino)pentan-2-one has a molecular weight of 169.15 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5,5,5-trifluoro-3-(methylamino)pentan-2-one is sourced from PubChem (CID 121246459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).