1-(1,1,2-trifluoroprop-2-enyl)piperidine

C8H12F3N — CID 129207504

IUPAC1-(1,1,2-trifluoroprop-2-enyl)piperidine
SMILESC=C(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C8H12F3N/c1-7(9)8(10,11)12-5-3-2-4-6-12/h1-6H2
InChIKeyOWLXNHXIEUFVAY-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.55
Rot. Bonds2

About 1-(1,1,2-trifluoroprop-2-enyl)piperidine

1-(1,1,2-trifluoroprop-2-enyl)piperidine (PubChem CID 129207504) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-(1,1,2-trifluoroprop-2-enyl)piperidine.

Molecular Properties

Compound Name1-(1,1,2-trifluoroprop-2-enyl)piperidine
PubChem CID129207504
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name1-(1,1,2-trifluoroprop-2-enyl)piperidine
SMILESC=C(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C8H12F3N/c1-7(9)8(10,11)12-5-3-2-4-6-12/h1-6H2
InChIKeyOWLXNHXIEUFVAY-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2-trifluoroprop-2-enyl)piperidine?
The IUPAC name of 1-(1,1,2-trifluoroprop-2-enyl)piperidine (CID 129207504) is 1-(1,1,2-trifluoroprop-2-enyl)piperidine.
What is the SMILES notation for 1-(1,1,2-trifluoroprop-2-enyl)piperidine?
The canonical SMILES for 1-(1,1,2-trifluoroprop-2-enyl)piperidine is C=C(F)C(F)(F)N1CCCCC1.
What is the InChIKey of 1-(1,1,2-trifluoroprop-2-enyl)piperidine?
The InChIKey is OWLXNHXIEUFVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-7(9)8(10,11)12-5-3-2-4-6-12/h1-6H2.
What are the key properties of 1-(1,1,2-trifluoroprop-2-enyl)piperidine?
1-(1,1,2-trifluoroprop-2-enyl)piperidine has a molecular weight of 179.18 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2-trifluoroprop-2-enyl)piperidine is sourced from PubChem (CID 129207504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).