4,4-difluoropiperidine-3-carboxylic acid;hydrochloride

C6H10ClF2NO2 — CID 84721379

IUPAC4,4-difluoropiperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CNCCC1(F)F
InChIInChI=1S/C6H9F2NO2.ClH/c7-6(8)1-2-9-3-4(6)5(10)11;/h4,9H,1-3H2,(H,10,11);1H
InChIKeyKJNMUQFWEZPIRA-UHFFFAOYSA-N
MW201.60 g/mol
LogP0.74
Rot. Bonds1

About 4,4-difluoropiperidine-3-carboxylic acid;hydrochloride

4,4-difluoropiperidine-3-carboxylic acid;hydrochloride (PubChem CID 84721379) has the molecular formula C6H10ClF2NO2 and a molecular weight of 201.60 g/mol. Its IUPAC name is 4,4-difluoropiperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4,4-difluoropiperidine-3-carboxylic acid;hydrochloride
PubChem CID84721379
Molecular FormulaC6H10ClF2NO2
Molecular Weight201.60 g/mol
Exact Mass201.04
IUPAC Name4,4-difluoropiperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CNCCC1(F)F
InChIInChI=1S/C6H9F2NO2.ClH/c7-6(8)1-2-9-3-4(6)5(10)11;/h4,9H,1-3H2,(H,10,11);1H
InChIKeyKJNMUQFWEZPIRA-UHFFFAOYSA-N
XLogP0.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.60
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 4,4-difluoropiperidine-3-carboxylic acid;hydrochloride (CID 84721379) is 4,4-difluoropiperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4,4-difluoropiperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4,4-difluoropiperidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CNCCC1(F)F.
What is the InChIKey of 4,4-difluoropiperidine-3-carboxylic acid;hydrochloride?
The InChIKey is KJNMUQFWEZPIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2.ClH/c7-6(8)1-2-9-3-4(6)5(10)11;/h4,9H,1-3H2,(H,10,11);1H.
What are the key properties of 4,4-difluoropiperidine-3-carboxylic acid;hydrochloride?
4,4-difluoropiperidine-3-carboxylic acid;hydrochloride has a molecular weight of 201.60 g/mol, XLogP of 0.74, 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;hydrochloride is sourced from PubChem (CID 84721379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).