4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride

C7H11ClF3NO2 — CID 122360404

IUPAC4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC(C(F)(F)F)CCN1
InChIInChI=1S/C7H10F3NO2.ClH/c8-7(9,10)4-1-2-11-5(3-4)6(12)13;/h4-5,11H,1-3H2,(H,12,13);1H
InChIKeyAUVSQLGRTJCCRX-UHFFFAOYSA-N
MW233.62 g/mol
LogP1.42
Rot. Bonds1

About 4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride

4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride (PubChem CID 122360404) has the molecular formula C7H11ClF3NO2 and a molecular weight of 233.62 g/mol. Its IUPAC name is 4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride
PubChem CID122360404
Molecular FormulaC7H11ClF3NO2
Molecular Weight233.62 g/mol
Exact Mass233.04
IUPAC Name4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC(C(F)(F)F)CCN1
InChIInChI=1S/C7H10F3NO2.ClH/c8-7(9,10)4-1-2-11-5(3-4)6(12)13;/h4-5,11H,1-3H2,(H,12,13);1H
InChIKeyAUVSQLGRTJCCRX-UHFFFAOYSA-N
XLogP1.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.62
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride (CID 122360404) is 4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CC(C(F)(F)F)CCN1.
What is the InChIKey of 4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride?
The InChIKey is AUVSQLGRTJCCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2.ClH/c8-7(9,10)4-1-2-11-5(3-4)6(12)13;/h4-5,11H,1-3H2,(H,12,13);1H.
What are the key properties of 4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride?
4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride has a molecular weight of 233.62 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 122360404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).