4-(3,3,3-trifluoroprop-1-enyl)piperidine

C8H12F3N — CID 174312515

IUPAC4-(3,3,3-trifluoroprop-1-enyl)piperidine
SMILESFC(F)(F)C=CC1CCNCC1
InChIInChI=1S/C8H12F3N/c9-8(10,11)4-1-7-2-5-12-6-3-7/h1,4,7,12H,2-3,5-6H2
InChIKeyMNKNATBJUOVYNT-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.10
Rot. Bonds1

About 4-(3,3,3-trifluoroprop-1-enyl)piperidine

4-(3,3,3-trifluoroprop-1-enyl)piperidine (PubChem CID 174312515) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is 4-(3,3,3-trifluoroprop-1-enyl)piperidine.

Molecular Properties

Compound Name4-(3,3,3-trifluoroprop-1-enyl)piperidine
PubChem CID174312515
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name4-(3,3,3-trifluoroprop-1-enyl)piperidine
SMILESFC(F)(F)C=CC1CCNCC1
InChIInChI=1S/C8H12F3N/c9-8(10,11)4-1-7-2-5-12-6-3-7/h1,4,7,12H,2-3,5-6H2
InChIKeyMNKNATBJUOVYNT-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.10
H-Bond Donors ≤ 51
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 4-(3,3,3-trifluoroprop-1-enyl)piperidine?
The IUPAC name of 4-(3,3,3-trifluoroprop-1-enyl)piperidine (CID 174312515) is 4-(3,3,3-trifluoroprop-1-enyl)piperidine.
What is the SMILES notation for 4-(3,3,3-trifluoroprop-1-enyl)piperidine?
The canonical SMILES for 4-(3,3,3-trifluoroprop-1-enyl)piperidine is FC(F)(F)C=CC1CCNCC1.
What is the InChIKey of 4-(3,3,3-trifluoroprop-1-enyl)piperidine?
The InChIKey is MNKNATBJUOVYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c9-8(10,11)4-1-7-2-5-12-6-3-7/h1,4,7,12H,2-3,5-6H2.
What are the key properties of 4-(3,3,3-trifluoroprop-1-enyl)piperidine?
4-(3,3,3-trifluoroprop-1-enyl)piperidine has a molecular weight of 179.19 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoroprop-1-enyl)piperidine is sourced from PubChem (CID 174312515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).