2,4-difluoropiperidine-1-carboxylic acid

C6H9F2NO2 — CID 87325235

IUPAC2,4-difluoropiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(F)CC1F
InChIInChI=1S/C6H9F2NO2/c7-4-1-2-9(6(10)11)5(8)3-4/h4-5H,1-3H2,(H,10,11)
InChIKeyGSQVWSDITPNYNW-UHFFFAOYSA-N
MW165.14 g/mol
LogP1.39
Rot. Bonds

About 2,4-difluoropiperidine-1-carboxylic acid

2,4-difluoropiperidine-1-carboxylic acid (PubChem CID 87325235) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 2,4-difluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2,4-difluoropiperidine-1-carboxylic acid
PubChem CID87325235
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name2,4-difluoropiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(F)CC1F
InChIInChI=1S/C6H9F2NO2/c7-4-1-2-9(6(10)11)5(8)3-4/h4-5H,1-3H2,(H,10,11)
InChIKeyGSQVWSDITPNYNW-UHFFFAOYSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,4-difluoropiperidine-1-carboxylic acid?
The IUPAC name of 2,4-difluoropiperidine-1-carboxylic acid (CID 87325235) is 2,4-difluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 2,4-difluoropiperidine-1-carboxylic acid?
The canonical SMILES for 2,4-difluoropiperidine-1-carboxylic acid is O=C(O)N1CCC(F)CC1F.
What is the InChIKey of 2,4-difluoropiperidine-1-carboxylic acid?
The InChIKey is GSQVWSDITPNYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c7-4-1-2-9(6(10)11)5(8)3-4/h4-5H,1-3H2,(H,10,11).
What are the key properties of 2,4-difluoropiperidine-1-carboxylic acid?
2,4-difluoropiperidine-1-carboxylic acid has a molecular weight of 165.14 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 87325235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).