3-(3,3,3-trifluoropropylidene)piperidine

C8H12F3N — CID 79880618

IUPAC3-(3,3,3-trifluoropropylidene)piperidine
SMILESFC(F)(F)CC=C1CCCNC1
InChIInChI=1S/C8H12F3N/c9-8(10,11)4-3-7-2-1-5-12-6-7/h3,12H,1-2,4-6H2
InChIKeyYUVYQPKOLSTBFJ-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.25
Rot. Bonds1

About 3-(3,3,3-trifluoropropylidene)piperidine

3-(3,3,3-trifluoropropylidene)piperidine (PubChem CID 79880618) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylidene)piperidine.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylidene)piperidine
PubChem CID79880618
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name3-(3,3,3-trifluoropropylidene)piperidine
SMILESFC(F)(F)CC=C1CCCNC1
InChIInChI=1S/C8H12F3N/c9-8(10,11)4-3-7-2-1-5-12-6-7/h3,12H,1-2,4-6H2
InChIKeyYUVYQPKOLSTBFJ-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
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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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylidene)piperidine?
The IUPAC name of 3-(3,3,3-trifluoropropylidene)piperidine (CID 79880618) is 3-(3,3,3-trifluoropropylidene)piperidine.
What is the SMILES notation for 3-(3,3,3-trifluoropropylidene)piperidine?
The canonical SMILES for 3-(3,3,3-trifluoropropylidene)piperidine is FC(F)(F)CC=C1CCCNC1.
What is the InChIKey of 3-(3,3,3-trifluoropropylidene)piperidine?
The InChIKey is YUVYQPKOLSTBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c9-8(10,11)4-3-7-2-1-5-12-6-7/h3,12H,1-2,4-6H2.
What are the key properties of 3-(3,3,3-trifluoropropylidene)piperidine?
3-(3,3,3-trifluoropropylidene)piperidine has a molecular weight of 179.18 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 3-(3,3,3-trifluoropropylidene)piperidine is sourced from PubChem (CID 79880618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).