(3R,5R)-3,5-difluoropiperidine

C5H9F2N — CID 96532302

IUPAC(3R,5R)-3,5-difluoropiperidine
SMILESF[C@H]1CNC[C@H](F)C1
InChIInChI=1S/C5H9F2N/c6-4-1-5(7)3-8-2-4/h4-5,8H,1-3H2/t4-,5-/m1/s1
InChIKeyFXAZVBOIOYBLII-RFZPGFLSSA-N
MW121.13 g/mol
LogP0.66
Rot. Bonds

About (3R,5R)-3,5-difluoropiperidine

(3R,5R)-3,5-difluoropiperidine (PubChem CID 96532302) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is (3R,5R)-3,5-difluoropiperidine.

Molecular Properties

Compound Name(3R,5R)-3,5-difluoropiperidine
PubChem CID96532302
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name(3R,5R)-3,5-difluoropiperidine
SMILESF[C@H]1CNC[C@H](F)C1
InChIInChI=1S/C5H9F2N/c6-4-1-5(7)3-8-2-4/h4-5,8H,1-3H2/t4-,5-/m1/s1
InChIKeyFXAZVBOIOYBLII-RFZPGFLSSA-N
XLogP0.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3,5-difluoropiperidine?
The IUPAC name of (3R,5R)-3,5-difluoropiperidine (CID 96532302) is (3R,5R)-3,5-difluoropiperidine.
What is the SMILES notation for (3R,5R)-3,5-difluoropiperidine?
The canonical SMILES for (3R,5R)-3,5-difluoropiperidine is F[C@H]1CNC[C@H](F)C1.
What is the InChIKey of (3R,5R)-3,5-difluoropiperidine?
The InChIKey is FXAZVBOIOYBLII-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H9F2N/c6-4-1-5(7)3-8-2-4/h4-5,8H,1-3H2/t4-,5-/m1/s1.
What are the key properties of (3R,5R)-3,5-difluoropiperidine?
(3R,5R)-3,5-difluoropiperidine has a molecular weight of 121.13 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3,5-difluoropiperidine is sourced from PubChem (CID 96532302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).