1-[3-(trifluoromethyl)cyclohex-3-en-1-yl]piperidine

C12H18F3N — CID 134458990

IUPAC1-[3-(trifluoromethyl)cyclohex-3-en-1-yl]piperidine
SMILESFC(F)(F)C1=CCCC(N2CCCCC2)C1
InChIInChI=1S/C12H18F3N/c13-12(14,15)10-5-4-6-11(9-10)16-7-2-1-3-8-16/h5,11H,1-4,6-9H2
InChIKeyJLWTYOBUBFJZEK-UHFFFAOYSA-N
MW233.28 g/mol
LogP3.51
Rot. Bonds1

About 1-[3-(trifluoromethyl)cyclohex-3-en-1-yl]piperidine

1-[3-(trifluoromethyl)cyclohex-3-en-1-yl]piperidine (PubChem CID 134458990) has the molecular formula C12H18F3N and a molecular weight of 233.28 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)cyclohex-3-en-1-yl]piperidine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)cyclohex-3-en-1-yl]piperidine
PubChem CID134458990
Molecular FormulaC12H18F3N
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name1-[3-(trifluoromethyl)cyclohex-3-en-1-yl]piperidine
SMILESFC(F)(F)C1=CCCC(N2CCCCC2)C1
InChIInChI=1S/C12H18F3N/c13-12(14,15)10-5-4-6-11(9-10)16-7-2-1-3-8-16/h5,11H,1-4,6-9H2
InChIKeyJLWTYOBUBFJZEK-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)cyclohex-3-en-1-yl]piperidine?
The IUPAC name of 1-[3-(trifluoromethyl)cyclohex-3-en-1-yl]piperidine (CID 134458990) is 1-[3-(trifluoromethyl)cyclohex-3-en-1-yl]piperidine.
What is the SMILES notation for 1-[3-(trifluoromethyl)cyclohex-3-en-1-yl]piperidine?
The canonical SMILES for 1-[3-(trifluoromethyl)cyclohex-3-en-1-yl]piperidine is FC(F)(F)C1=CCCC(N2CCCCC2)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)cyclohex-3-en-1-yl]piperidine?
The InChIKey is JLWTYOBUBFJZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N/c13-12(14,15)10-5-4-6-11(9-10)16-7-2-1-3-8-16/h5,11H,1-4,6-9H2.
What are the key properties of 1-[3-(trifluoromethyl)cyclohex-3-en-1-yl]piperidine?
1-[3-(trifluoromethyl)cyclohex-3-en-1-yl]piperidine has a molecular weight of 233.28 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)cyclohex-3-en-1-yl]piperidine is sourced from PubChem (CID 134458990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).