(3S)-3,4,4-trifluoropiperidine

C5H8F3N — CID 124662369

IUPAC(3S)-3,4,4-trifluoropiperidine
SMILESF[C@H]1CNCCC1(F)F
InChIInChI=1S/C5H8F3N/c6-4-3-9-2-1-5(4,7)8/h4,9H,1-3H2/t4-/m0/s1
InChIKeyGDZUZMSGANWHFA-BYPYZUCNSA-N
MW139.12 g/mol
LogP0.95
Rot. Bonds

About (3S)-3,4,4-trifluoropiperidine

(3S)-3,4,4-trifluoropiperidine (PubChem CID 124662369) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is (3S)-3,4,4-trifluoropiperidine.

Molecular Properties

Compound Name(3S)-3,4,4-trifluoropiperidine
PubChem CID124662369
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name(3S)-3,4,4-trifluoropiperidine
SMILESF[C@H]1CNCCC1(F)F
InChIInChI=1S/C5H8F3N/c6-4-3-9-2-1-5(4,7)8/h4,9H,1-3H2/t4-/m0/s1
InChIKeyGDZUZMSGANWHFA-BYPYZUCNSA-N
XLogP0.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3,4,4-trifluoropiperidine?
The IUPAC name of (3S)-3,4,4-trifluoropiperidine (CID 124662369) is (3S)-3,4,4-trifluoropiperidine.
What is the SMILES notation for (3S)-3,4,4-trifluoropiperidine?
The canonical SMILES for (3S)-3,4,4-trifluoropiperidine is F[C@H]1CNCCC1(F)F.
What is the InChIKey of (3S)-3,4,4-trifluoropiperidine?
The InChIKey is GDZUZMSGANWHFA-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8F3N/c6-4-3-9-2-1-5(4,7)8/h4,9H,1-3H2/t4-/m0/s1.
What are the key properties of (3S)-3,4,4-trifluoropiperidine?
(3S)-3,4,4-trifluoropiperidine has a molecular weight of 139.12 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4,4-trifluoropiperidine is sourced from PubChem (CID 124662369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).