(3S,5R)-3,5-difluoropiperidine;hydrochloride

C5H10ClF2N — CID 135800020

IUPAC(3S,5R)-3,5-difluoropiperidine;hydrochloride
SMILESCl.F[C@@H]1CNC[C@H](F)C1
InChIInChI=1S/C5H9F2N.ClH/c6-4-1-5(7)3-8-2-4;/h4-5,8H,1-3H2;1H/t4-,5+;
InChIKeyAHGKXYJWIFNPNB-JEVYUYNZSA-N
MW157.59 g/mol
LogP1.08
Rot. Bonds

About (3S,5R)-3,5-difluoropiperidine;hydrochloride

(3S,5R)-3,5-difluoropiperidine;hydrochloride (PubChem CID 135800020) has the molecular formula C5H10ClF2N and a molecular weight of 157.59 g/mol. Its IUPAC name is (3S,5R)-3,5-difluoropiperidine;hydrochloride.

Molecular Properties

Compound Name(3S,5R)-3,5-difluoropiperidine;hydrochloride
PubChem CID135800020
Molecular FormulaC5H10ClF2N
Molecular Weight157.59 g/mol
Exact Mass157.05
IUPAC Name(3S,5R)-3,5-difluoropiperidine;hydrochloride
SMILESCl.F[C@@H]1CNC[C@H](F)C1
InChIInChI=1S/C5H9F2N.ClH/c6-4-1-5(7)3-8-2-4;/h4-5,8H,1-3H2;1H/t4-,5+;
InChIKeyAHGKXYJWIFNPNB-JEVYUYNZSA-N
XLogP1.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.59
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-difluoropiperidine;hydrochloride?
The IUPAC name of (3S,5R)-3,5-difluoropiperidine;hydrochloride (CID 135800020) is (3S,5R)-3,5-difluoropiperidine;hydrochloride.
What is the SMILES notation for (3S,5R)-3,5-difluoropiperidine;hydrochloride?
The canonical SMILES for (3S,5R)-3,5-difluoropiperidine;hydrochloride is Cl.F[C@@H]1CNC[C@H](F)C1.
What is the InChIKey of (3S,5R)-3,5-difluoropiperidine;hydrochloride?
The InChIKey is AHGKXYJWIFNPNB-JEVYUYNZSA-N. The full InChI is InChI=1S/C5H9F2N.ClH/c6-4-1-5(7)3-8-2-4;/h4-5,8H,1-3H2;1H/t4-,5+;.
What are the key properties of (3S,5R)-3,5-difluoropiperidine;hydrochloride?
(3S,5R)-3,5-difluoropiperidine;hydrochloride has a molecular weight of 157.59 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-difluoropiperidine;hydrochloride is sourced from PubChem (CID 135800020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).