4,4-difluoropiperidine-1-carboxylic acid

C6H9F2NO2 — CID 22741696

IUPAC4,4-difluoropiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(F)(F)CC1
InChIInChI=1S/C6H9F2NO2/c7-6(8)1-3-9(4-2-6)5(10)11/h1-4H2,(H,10,11)
InChIKeyRNAQBXVHMDEQHE-UHFFFAOYSA-N
MW165.14 g/mol
LogP1.40
Rot. Bonds

About 4,4-difluoropiperidine-1-carboxylic acid

4,4-difluoropiperidine-1-carboxylic acid (PubChem CID 22741696) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 4,4-difluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4,4-difluoropiperidine-1-carboxylic acid
PubChem CID22741696
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name4,4-difluoropiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(F)(F)CC1
InChIInChI=1S/C6H9F2NO2/c7-6(8)1-3-9(4-2-6)5(10)11/h1-4H2,(H,10,11)
InChIKeyRNAQBXVHMDEQHE-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidine-1-carboxylic acid?
The IUPAC name of 4,4-difluoropiperidine-1-carboxylic acid (CID 22741696) is 4,4-difluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 4,4-difluoropiperidine-1-carboxylic acid?
The canonical SMILES for 4,4-difluoropiperidine-1-carboxylic acid is O=C(O)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoropiperidine-1-carboxylic acid?
The InChIKey is RNAQBXVHMDEQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c7-6(8)1-3-9(4-2-6)5(10)11/h1-4H2,(H,10,11).
What are the key properties of 4,4-difluoropiperidine-1-carboxylic acid?
4,4-difluoropiperidine-1-carboxylic acid has a molecular weight of 165.14 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 22741696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).