3-methyl-5-(trifluoromethyl)piperidin-2-one

C7H10F3NO — CID 178159652

IUPAC3-methyl-5-(trifluoromethyl)piperidin-2-one
SMILESCC1CC(C(F)(F)F)CNC1=O
InChIInChI=1S/C7H10F3NO/c1-4-2-5(7(8,9)10)3-11-6(4)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyMQPPBTOSFSMCQY-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.32
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)piperidin-2-one

3-methyl-5-(trifluoromethyl)piperidin-2-one (PubChem CID 178159652) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)piperidin-2-one.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)piperidin-2-one
PubChem CID178159652
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name3-methyl-5-(trifluoromethyl)piperidin-2-one
SMILESCC1CC(C(F)(F)F)CNC1=O
InChIInChI=1S/C7H10F3NO/c1-4-2-5(7(8,9)10)3-11-6(4)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyMQPPBTOSFSMCQY-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(1,1-difluoropropyl)-3-methylpiperidin-2-one
CID 178159653
(5S)-3-[(6-aminopyridazin-3-yl)methyl]-5-(trifluoromethyl)piperidin-2-one
CID 170340156
trans-(2R,6R)-4-tert-butyl-2,6-dimethylcyclohexan-1-one
CID 102330787
5-methyl-3-(trifluoromethyl)azepane
CID 176694469
(4S)-4-(trifluoromethyl)imidazolidin-2-one
CID 91927657
3-iodo-5-methylpiperidine-2,6-dione
CID 170011464
(4R)-4-(trifluoromethyl)imidazolidin-2-one
CID 99718576
tert-butyl-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid
CID 118512779
2-tert-butyl-4-(trifluoromethyl)pyrrolidine
CID 82606198
(5R)-3-[[2-[(S)-amino-(3-methyl-1-bicyclo[1.1.1]pentanyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methyl]-5-(trifluoromethyl)piperidin-2-one
CID 170339571
(2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine
CID 96744744
(3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one
CID 131863830

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)piperidin-2-one?
The IUPAC name of 3-methyl-5-(trifluoromethyl)piperidin-2-one (CID 178159652) is 3-methyl-5-(trifluoromethyl)piperidin-2-one.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)piperidin-2-one?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)piperidin-2-one is CC1CC(C(F)(F)F)CNC1=O.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)piperidin-2-one?
The InChIKey is MQPPBTOSFSMCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-4-2-5(7(8,9)10)3-11-6(4)12/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-methyl-5-(trifluoromethyl)piperidin-2-one?
3-methyl-5-(trifluoromethyl)piperidin-2-one has a molecular weight of 181.16 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)piperidin-2-one is sourced from PubChem (CID 178159652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).