2-cycloprop-2-en-1-yl-6-(trifluoromethyl)piperidine

C9H12F3N — CID 144521660

IUPAC2-cycloprop-2-en-1-yl-6-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCC(C2C=C2)N1
InChIInChI=1S/C9H12F3N/c10-9(11,12)8-3-1-2-7(13-8)6-4-5-6/h4-8,13H,1-3H2
InChIKeyATDJZGCNSKZBAC-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.25
Rot. Bonds1

About 2-cycloprop-2-en-1-yl-6-(trifluoromethyl)piperidine

2-cycloprop-2-en-1-yl-6-(trifluoromethyl)piperidine (PubChem CID 144521660) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-cycloprop-2-en-1-yl-6-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-cycloprop-2-en-1-yl-6-(trifluoromethyl)piperidine
PubChem CID144521660
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name2-cycloprop-2-en-1-yl-6-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCC(C2C=C2)N1
InChIInChI=1S/C9H12F3N/c10-9(11,12)8-3-1-2-7(13-8)6-4-5-6/h4-8,13H,1-3H2
InChIKeyATDJZGCNSKZBAC-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(Trifluoromethyl)hept-1-en-2-yl]piperidine
CID 70329148
2,6-Bis(1-fluoroprop-2-enyl)piperidine
CID 70426156
2,6-Bis(3-fluoroprop-2-enyl)piperidine
CID 70426157
1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)oct-7-en-3-amine
CID 103311998
N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine
CID 103311999
1-(4,4-difluorocyclohexyl)-N-ethylbut-3-en-1-amine
CID 105108104
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108121
N-ethyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108216
1-(4,4-difluorocyclohexyl)-N-propylbut-3-en-1-amine
CID 105108346
N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108579
1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine
CID 105153076
N-ethyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153112

Frequently Asked Questions

What is the IUPAC name of 2-cycloprop-2-en-1-yl-6-(trifluoromethyl)piperidine?
The IUPAC name of 2-cycloprop-2-en-1-yl-6-(trifluoromethyl)piperidine (CID 144521660) is 2-cycloprop-2-en-1-yl-6-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-cycloprop-2-en-1-yl-6-(trifluoromethyl)piperidine?
The canonical SMILES for 2-cycloprop-2-en-1-yl-6-(trifluoromethyl)piperidine is FC(F)(F)C1CCCC(C2C=C2)N1.
What is the InChIKey of 2-cycloprop-2-en-1-yl-6-(trifluoromethyl)piperidine?
The InChIKey is ATDJZGCNSKZBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c10-9(11,12)8-3-1-2-7(13-8)6-4-5-6/h4-8,13H,1-3H2.
What are the key properties of 2-cycloprop-2-en-1-yl-6-(trifluoromethyl)piperidine?
2-cycloprop-2-en-1-yl-6-(trifluoromethyl)piperidine has a molecular weight of 191.20 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloprop-2-en-1-yl-6-(trifluoromethyl)piperidine is sourced from PubChem (CID 144521660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).