4-(2,2,2-trifluoroethyl)piperidine;hydrochloride

C7H13ClF3N — CID 71755865

IUPAC4-(2,2,2-trifluoroethyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)CC1CCNCC1
InChIInChI=1S/C7H12F3N.ClH/c8-7(9,10)5-6-1-3-11-4-2-6;/h6,11H,1-5H2;1H
InChIKeyFZVZURSFICKCEE-UHFFFAOYSA-N
MW203.63 g/mol
LogP2.36
Rot. Bonds1

About 4-(2,2,2-trifluoroethyl)piperidine;hydrochloride

4-(2,2,2-trifluoroethyl)piperidine;hydrochloride (PubChem CID 71755865) has the molecular formula C7H13ClF3N and a molecular weight of 203.63 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)piperidine;hydrochloride
PubChem CID71755865
Molecular FormulaC7H13ClF3N
Molecular Weight203.63 g/mol
Exact Mass203.07
IUPAC Name4-(2,2,2-trifluoroethyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)CC1CCNCC1
InChIInChI=1S/C7H12F3N.ClH/c8-7(9,10)5-6-1-3-11-4-2-6;/h6,11H,1-5H2;1H
InChIKeyFZVZURSFICKCEE-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2,2,2-trifluoroethyl)piperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Trifluoromethyl)piperidine
CID 136469
4,4-Difluoropiperidine
CID 2758352
3-(Trifluoromethyl)piperidine
CID 2760776
3,3-Difluoropiperidine
CID 2758350
4-(Trifluoromethyl)piperidine hydrochloride
CID 16218160
4,4-Difluoropiperidine hydrochloride
CID 2758351
(S)-3-(Trifluoromethyl)piperidine
CID 7062692
rac-(3R,5S)-3,5-difluoropiperidine hydrochloride
CID 135800020
3,3-Difluoropiperidine hydrochloride
CID 2758349
3,5-Difluoropiperidine hydrochloride
CID 135800019
3,5-Bis(trifluoromethyl)piperidine
CID 10036439
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methanamine
CID 18425514

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)piperidine;hydrochloride?
The IUPAC name of 4-(2,2,2-trifluoroethyl)piperidine;hydrochloride (CID 71755865) is 4-(2,2,2-trifluoroethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)piperidine;hydrochloride?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)piperidine;hydrochloride is Cl.FC(F)(F)CC1CCNCC1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)piperidine;hydrochloride?
The InChIKey is FZVZURSFICKCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N.ClH/c8-7(9,10)5-6-1-3-11-4-2-6;/h6,11H,1-5H2;1H.
What are the key properties of 4-(2,2,2-trifluoroethyl)piperidine;hydrochloride?
4-(2,2,2-trifluoroethyl)piperidine;hydrochloride has a molecular weight of 203.63 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)piperidine;hydrochloride is sourced from PubChem (CID 71755865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).