1-(3,3,3-trifluoroprop-1-ynyl)piperidine

C8H10F3N — CID 15472876

IUPAC1-(3,3,3-trifluoroprop-1-ynyl)piperidine
SMILESFC(F)(F)C#CN1CCCCC1
InChIInChI=1S/C8H10F3N/c9-8(10,11)4-7-12-5-2-1-3-6-12/h1-3,5-6H2
InChIKeyXCKJAJZRZKBQJZ-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.00
Rot. Bonds

About 1-(3,3,3-trifluoroprop-1-ynyl)piperidine

1-(3,3,3-trifluoroprop-1-ynyl)piperidine (PubChem CID 15472876) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 1-(3,3,3-trifluoroprop-1-ynyl)piperidine.

Molecular Properties

Compound Name1-(3,3,3-trifluoroprop-1-ynyl)piperidine
PubChem CID15472876
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name1-(3,3,3-trifluoroprop-1-ynyl)piperidine
SMILESFC(F)(F)C#CN1CCCCC1
InChIInChI=1S/C8H10F3N/c9-8(10,11)4-7-12-5-2-1-3-6-12/h1-3,5-6H2
InChIKeyXCKJAJZRZKBQJZ-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoroprop-1-ynyl)piperidine?
The IUPAC name of 1-(3,3,3-trifluoroprop-1-ynyl)piperidine (CID 15472876) is 1-(3,3,3-trifluoroprop-1-ynyl)piperidine.
What is the SMILES notation for 1-(3,3,3-trifluoroprop-1-ynyl)piperidine?
The canonical SMILES for 1-(3,3,3-trifluoroprop-1-ynyl)piperidine is FC(F)(F)C#CN1CCCCC1.
What is the InChIKey of 1-(3,3,3-trifluoroprop-1-ynyl)piperidine?
The InChIKey is XCKJAJZRZKBQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c9-8(10,11)4-7-12-5-2-1-3-6-12/h1-3,5-6H2.
What are the key properties of 1-(3,3,3-trifluoroprop-1-ynyl)piperidine?
1-(3,3,3-trifluoroprop-1-ynyl)piperidine has a molecular weight of 177.17 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoroprop-1-ynyl)piperidine is sourced from PubChem (CID 15472876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).