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

C8H13ClF3NO2 — CID 91663079

IUPAC1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO2.ClH/c9-8(10,11)5-12-3-1-6(2-4-12)7(13)14;/h6H,1-5H2,(H,13,14);1H
InChIKeyHILXVLFKNDOPHA-UHFFFAOYSA-N
MW247.64 g/mol
LogP1.77
Rot. Bonds2

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

1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid;hydrochloride (PubChem CID 91663079) has the molecular formula C8H13ClF3NO2 and a molecular weight of 247.64 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid;hydrochloride
PubChem CID91663079
Molecular FormulaC8H13ClF3NO2
Molecular Weight247.64 g/mol
Exact Mass247.06
IUPAC Name1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO2.ClH/c9-8(10,11)5-12-3-1-6(2-4-12)7(13)14;/h6H,1-5H2,(H,13,14);1H
InChIKeyHILXVLFKNDOPHA-UHFFFAOYSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.64
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid;hydrochloride (CID 91663079) is 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is HILXVLFKNDOPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2.ClH/c9-8(10,11)5-12-3-1-6(2-4-12)7(13)14;/h6H,1-5H2,(H,13,14);1H.
What are the key properties of 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid;hydrochloride?
1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 247.64 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 91663079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).