4-methylidene-1-(2,2,2-trifluoroethyl)piperidine

C8H12F3N — CID 58902685

IUPAC4-methylidene-1-(2,2,2-trifluoroethyl)piperidine
SMILESC=C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H12F3N/c1-7-2-4-12(5-3-7)6-8(9,10)11/h1-6H2
InChIKeyRWWIGCDKYUKOAU-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.20
Rot. Bonds1

About 4-methylidene-1-(2,2,2-trifluoroethyl)piperidine

4-methylidene-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 58902685) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 4-methylidene-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-methylidene-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID58902685
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name4-methylidene-1-(2,2,2-trifluoroethyl)piperidine
SMILESC=C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H12F3N/c1-7-2-4-12(5-3-7)6-8(9,10)11/h1-6H2
InChIKeyRWWIGCDKYUKOAU-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.20
H-Bond Donors ≤ 50
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-methylidene-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-methylidene-1-(2,2,2-trifluoroethyl)piperidine (CID 58902685) is 4-methylidene-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-methylidene-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-methylidene-1-(2,2,2-trifluoroethyl)piperidine is C=C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-methylidene-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is RWWIGCDKYUKOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-7-2-4-12(5-3-7)6-8(9,10)11/h1-6H2.
What are the key properties of 4-methylidene-1-(2,2,2-trifluoroethyl)piperidine?
4-methylidene-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 179.18 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 58902685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).