3-(1,2,2-trifluoroethyl)piperidine

C7H12F3N — CID 112565338

IUPAC3-(1,2,2-trifluoroethyl)piperidine
SMILESFC(F)C(F)C1CCCNC1
InChIInChI=1S/C7H12F3N/c8-6(7(9)10)5-2-1-3-11-4-5/h5-7,11H,1-4H2
InChIKeyRKFGZLBCSPURID-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.59
Rot. Bonds2

About 3-(1,2,2-trifluoroethyl)piperidine

3-(1,2,2-trifluoroethyl)piperidine (PubChem CID 112565338) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-(1,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name3-(1,2,2-trifluoroethyl)piperidine
PubChem CID112565338
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name3-(1,2,2-trifluoroethyl)piperidine
SMILESFC(F)C(F)C1CCCNC1
InChIInChI=1S/C7H12F3N/c8-6(7(9)10)5-2-1-3-11-4-5/h5-7,11H,1-4H2
InChIKeyRKFGZLBCSPURID-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(1,2,2-trifluoroethyl)piperidine 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

3-Ethylpiperidine
CID 202966
4-(Trifluoromethyl)piperidine
CID 136469
3-(Trifluoromethyl)piperidine
CID 2760776
4-(Trifluoromethyl)piperidine hydrochloride
CID 16218160
(S)-3-(Trifluoromethyl)piperidine
CID 7062692
3,5-Bis(trifluoromethyl)piperidine
CID 10036439
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methanamine
CID 18425514
4-(Fluoromethyl)piperidine hydrochloride
CID 23110104
3-(Fluoromethyl)piperidine hydrochloride
CID 49761297
rac-(2R,4S)-4-methyl-2-(trifluoromethyl)piperidine
CID 52810925
4-(Difluoromethyl)piperidine hydrochloride
CID 53346560
3-(Difluoromethyl)piperidine hydrochloride
CID 53346561

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,2-trifluoroethyl)piperidine?
The IUPAC name of 3-(1,2,2-trifluoroethyl)piperidine (CID 112565338) is 3-(1,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 3-(1,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 3-(1,2,2-trifluoroethyl)piperidine is FC(F)C(F)C1CCCNC1.
What is the InChIKey of 3-(1,2,2-trifluoroethyl)piperidine?
The InChIKey is RKFGZLBCSPURID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c8-6(7(9)10)5-2-1-3-11-4-5/h5-7,11H,1-4H2.
What are the key properties of 3-(1,2,2-trifluoroethyl)piperidine?
3-(1,2,2-trifluoroethyl)piperidine has a molecular weight of 167.17 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 112565338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).