4,4-difluoropiperidine-3-carboxylic acid

C6H9F2NO2 — CID 54594753

IUPAC4,4-difluoropiperidine-3-carboxylic acid
SMILESO=C(O)C1CNCCC1(F)F
InChIInChI=1S/C6H9F2NO2/c7-6(8)1-2-9-3-4(6)5(10)11/h4,9H,1-3H2,(H,10,11)
InChIKeyKTLZLSOELJHEMZ-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.32
Rot. Bonds1

About 4,4-difluoropiperidine-3-carboxylic acid

4,4-difluoropiperidine-3-carboxylic acid (PubChem CID 54594753) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 4,4-difluoropiperidine-3-carboxylic acid.

Molecular Properties

Compound Name4,4-difluoropiperidine-3-carboxylic acid
PubChem CID54594753
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name4,4-difluoropiperidine-3-carboxylic acid
SMILESO=C(O)C1CNCCC1(F)F
InChIInChI=1S/C6H9F2NO2/c7-6(8)1-2-9-3-4(6)5(10)11/h4,9H,1-3H2,(H,10,11)
InChIKeyKTLZLSOELJHEMZ-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Nipecotic Acid
CID 4498
Nipecotic acid, S-(+)-
CID 6575389
(-)-Nipecotic acid
CID 1796510
4-Piperidineacetic acid
CID 1512594
(3R)-piperidine-3-carboxylate
CID 1796509
4-Piperidineacetic acid hydrochloride
CID 15565775
(3S)-piperidine-3-carboxylic acid hydrochloride
CID 24820453
(3R)-piperidine-3-carboxylic acid hydrochloride
CID 24820499
3-Methylpiperidine-3-carboxylic acid hydrochloride
CID 54595615
4,4-Difluoropiperidine-3-carboxylic acid hydrochloride
CID 84721379
Methyl 5,5-difluoropiperidine-3-carboxylate hydrochloride
CID 91663853
1-(N-(2,2,2-trifluoroethyl)sulfamoyl)piperidine-3-carboxylic acid
CID 60859395

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidine-3-carboxylic acid?
The IUPAC name of 4,4-difluoropiperidine-3-carboxylic acid (CID 54594753) is 4,4-difluoropiperidine-3-carboxylic acid.
What is the SMILES notation for 4,4-difluoropiperidine-3-carboxylic acid?
The canonical SMILES for 4,4-difluoropiperidine-3-carboxylic acid is O=C(O)C1CNCCC1(F)F.
What is the InChIKey of 4,4-difluoropiperidine-3-carboxylic acid?
The InChIKey is KTLZLSOELJHEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c7-6(8)1-2-9-3-4(6)5(10)11/h4,9H,1-3H2,(H,10,11).
What are the key properties of 4,4-difluoropiperidine-3-carboxylic acid?
4,4-difluoropiperidine-3-carboxylic acid has a molecular weight of 165.14 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropiperidine-3-carboxylic acid is sourced from PubChem (CID 54594753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).