(3R)-6,6-difluoropiperidine-3-carboxylic acid

C6H9F2NO2 — CID 134210643

IUPAC(3R)-6,6-difluoropiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(F)(F)NC1
InChIInChI=1S/C6H9F2NO2/c7-6(8)2-1-4(3-9-6)5(10)11/h4,9H,1-3H2,(H,10,11)/t4-/m1/s1
InChIKeyASZUHKNSWSUKHI-SCSAIBSYSA-N
MW165.14 g/mol
LogP0.66
Rot. Bonds1

About (3R)-6,6-difluoropiperidine-3-carboxylic acid

(3R)-6,6-difluoropiperidine-3-carboxylic acid (PubChem CID 134210643) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is (3R)-6,6-difluoropiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-6,6-difluoropiperidine-3-carboxylic acid
PubChem CID134210643
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name(3R)-6,6-difluoropiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(F)(F)NC1
InChIInChI=1S/C6H9F2NO2/c7-6(8)2-1-4(3-9-6)5(10)11/h4,9H,1-3H2,(H,10,11)/t4-/m1/s1
InChIKeyASZUHKNSWSUKHI-SCSAIBSYSA-N
XLogP0.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-6,6-difluoropiperidine-3-carboxylic acid?
The IUPAC name of (3R)-6,6-difluoropiperidine-3-carboxylic acid (CID 134210643) is (3R)-6,6-difluoropiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-6,6-difluoropiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-6,6-difluoropiperidine-3-carboxylic acid is O=C(O)[C@@H]1CCC(F)(F)NC1.
What is the InChIKey of (3R)-6,6-difluoropiperidine-3-carboxylic acid?
The InChIKey is ASZUHKNSWSUKHI-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c7-6(8)2-1-4(3-9-6)5(10)11/h4,9H,1-3H2,(H,10,11)/t4-/m1/s1.
What are the key properties of (3R)-6,6-difluoropiperidine-3-carboxylic acid?
(3R)-6,6-difluoropiperidine-3-carboxylic acid has a molecular weight of 165.14 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6,6-difluoropiperidine-3-carboxylic acid is sourced from PubChem (CID 134210643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).