5,5,5-trifluoro-4-methyl-3-(methylamino)pentan-2-one

C7H12F3NO — CID 118122117

IUPAC5,5,5-trifluoro-4-methyl-3-(methylamino)pentan-2-one
SMILESCNC(C(C)=O)C(C)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-4(7(8,9)10)6(11-3)5(2)12/h4,6,11H,1-3H3
InChIKeyPKQFVGQSEAGVCG-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.36
Rot. Bonds3

About 5,5,5-trifluoro-4-methyl-3-(methylamino)pentan-2-one

5,5,5-trifluoro-4-methyl-3-(methylamino)pentan-2-one (PubChem CID 118122117) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-methyl-3-(methylamino)pentan-2-one.

Molecular Properties

Compound Name5,5,5-trifluoro-4-methyl-3-(methylamino)pentan-2-one
PubChem CID118122117
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name5,5,5-trifluoro-4-methyl-3-(methylamino)pentan-2-one
SMILESCNC(C(C)=O)C(C)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-4(7(8,9)10)6(11-3)5(2)12/h4,6,11H,1-3H3
InChIKeyPKQFVGQSEAGVCG-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Difluoro-3-(methylamino)pentan-2-one
CID 59493768
4-Methyl-3-(methylamino)pentan-2-one
CID 3268737
[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]azanium chloride
CID 10608323
(3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-one
CID 10608324
3-Amino-1,1,1-trifluoro-4-methylpentan-2-one
CID 16228653
1,1,1-Trifluoro-3-(methylamino)butan-2-one
CID 18721931
1,1,1-Trifluoro-4-methyl-2-(propan-2-ylamino)pentan-3-one
CID 18739772
3-Amino-1,1,1-trifluoro-4-methyl-2-pentanone Hydrochloride
CID 18801008
1-Fluoro-3-(methylamino)pentan-2-one
CID 21137007
N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
CID 21743801
2,2,2-trifluoro-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 54360916
2,2,2-trifluoro-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide
CID 58018207

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-methyl-3-(methylamino)pentan-2-one?
The IUPAC name of 5,5,5-trifluoro-4-methyl-3-(methylamino)pentan-2-one (CID 118122117) is 5,5,5-trifluoro-4-methyl-3-(methylamino)pentan-2-one.
What is the SMILES notation for 5,5,5-trifluoro-4-methyl-3-(methylamino)pentan-2-one?
The canonical SMILES for 5,5,5-trifluoro-4-methyl-3-(methylamino)pentan-2-one is CNC(C(C)=O)C(C)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-methyl-3-(methylamino)pentan-2-one?
The InChIKey is PKQFVGQSEAGVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-4(7(8,9)10)6(11-3)5(2)12/h4,6,11H,1-3H3.
What are the key properties of 5,5,5-trifluoro-4-methyl-3-(methylamino)pentan-2-one?
5,5,5-trifluoro-4-methyl-3-(methylamino)pentan-2-one has a molecular weight of 183.17 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-methyl-3-(methylamino)pentan-2-one is sourced from PubChem (CID 118122117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).