1-(2,2-difluoroethyl)piperidine-4-carboxylic acid;hydrochloride

C8H14ClF2NO2 — CID 91647610

IUPAC1-(2,2-difluoroethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(CC(F)F)CC1
InChIInChI=1S/C8H13F2NO2.ClH/c9-7(10)5-11-3-1-6(2-4-11)8(12)13;/h6-7H,1-5H2,(H,12,13);1H
InChIKeyHALDFWKOLPHLMI-UHFFFAOYSA-N
MW229.65 g/mol
LogP1.47
Rot. Bonds3

About 1-(2,2-difluoroethyl)piperidine-4-carboxylic acid;hydrochloride

1-(2,2-difluoroethyl)piperidine-4-carboxylic acid;hydrochloride (PubChem CID 91647610) has the molecular formula C8H14ClF2NO2 and a molecular weight of 229.65 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)piperidine-4-carboxylic acid;hydrochloride
PubChem CID91647610
Molecular FormulaC8H14ClF2NO2
Molecular Weight229.65 g/mol
Exact Mass229.07
IUPAC Name1-(2,2-difluoroethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(CC(F)F)CC1
InChIInChI=1S/C8H13F2NO2.ClH/c9-7(10)5-11-3-1-6(2-4-11)8(12)13;/h6-7H,1-5H2,(H,12,13);1H
InChIKeyHALDFWKOLPHLMI-UHFFFAOYSA-N
XLogP1.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.65
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-(2,2-difluoroethyl)piperidine-4-carboxylic acid;hydrochloride (CID 91647610) is 1-(2,2-difluoroethyl)piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(2,2-difluoroethyl)piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(2,2-difluoroethyl)piperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is HALDFWKOLPHLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2.ClH/c9-7(10)5-11-3-1-6(2-4-11)8(12)13;/h6-7H,1-5H2,(H,12,13);1H.
What are the key properties of 1-(2,2-difluoroethyl)piperidine-4-carboxylic acid;hydrochloride?
1-(2,2-difluoroethyl)piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 229.65 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 91647610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).