(4S)-4-(trifluoromethyl)piperidin-3-one

C6H8F3NO — CID 96737510

IUPAC(4S)-4-(trifluoromethyl)piperidin-3-one
SMILESO=C1CNCC[C@@H]1C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)4-1-2-10-3-5(4)11/h4,10H,1-3H2/t4-/m0/s1
InChIKeyOLLBCNYGXJCZFF-BYPYZUCNSA-N
MW167.13 g/mol
LogP0.73
Rot. Bonds

About (4S)-4-(trifluoromethyl)piperidin-3-one

(4S)-4-(trifluoromethyl)piperidin-3-one (PubChem CID 96737510) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is (4S)-4-(trifluoromethyl)piperidin-3-one.

Molecular Properties

Compound Name(4S)-4-(trifluoromethyl)piperidin-3-one
PubChem CID96737510
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name(4S)-4-(trifluoromethyl)piperidin-3-one
SMILESO=C1CNCC[C@@H]1C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)4-1-2-10-3-5(4)11/h4,10H,1-3H2/t4-/m0/s1
InChIKeyOLLBCNYGXJCZFF-BYPYZUCNSA-N
XLogP0.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(trifluoromethyl)piperidin-3-one?
The IUPAC name of (4S)-4-(trifluoromethyl)piperidin-3-one (CID 96737510) is (4S)-4-(trifluoromethyl)piperidin-3-one.
What is the SMILES notation for (4S)-4-(trifluoromethyl)piperidin-3-one?
The canonical SMILES for (4S)-4-(trifluoromethyl)piperidin-3-one is O=C1CNCC[C@@H]1C(F)(F)F.
What is the InChIKey of (4S)-4-(trifluoromethyl)piperidin-3-one?
The InChIKey is OLLBCNYGXJCZFF-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)4-1-2-10-3-5(4)11/h4,10H,1-3H2/t4-/m0/s1.
What are the key properties of (4S)-4-(trifluoromethyl)piperidin-3-one?
(4S)-4-(trifluoromethyl)piperidin-3-one has a molecular weight of 167.13 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(trifluoromethyl)piperidin-3-one is sourced from PubChem (CID 96737510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).