1-(1,2,2-trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine

C9H8F9N — CID 121241192

IUPAC1-(1,2,2-trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine
SMILESFC(F)=C(F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C9H8F9N/c10-6(11)7(12)19-2-4(8(13,14)15)1-5(3-19)9(16,17)18/h4-5H,1-3H2
InChIKeyTYUFHPDAGFDWRR-UHFFFAOYSA-N
MW301.15 g/mol
LogP4.08
Rot. Bonds1

About 1-(1,2,2-trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine

1-(1,2,2-trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine (PubChem CID 121241192) has the molecular formula C9H8F9N and a molecular weight of 301.15 g/mol. Its IUPAC name is 1-(1,2,2-trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(1,2,2-trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine
PubChem CID121241192
Molecular FormulaC9H8F9N
Molecular Weight301.15 g/mol
Exact Mass301.05
IUPAC Name1-(1,2,2-trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine
SMILESFC(F)=C(F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C9H8F9N/c10-6(11)7(12)19-2-4(8(13,14)15)1-5(3-19)9(16,17)18/h4-5H,1-3H2
InChIKeyTYUFHPDAGFDWRR-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 54.08
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-(1,2,2-trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine?
The IUPAC name of 1-(1,2,2-trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine (CID 121241192) is 1-(1,2,2-trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(1,2,2-trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine?
The canonical SMILES for 1-(1,2,2-trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine is FC(F)=C(F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1.
What is the InChIKey of 1-(1,2,2-trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine?
The InChIKey is TYUFHPDAGFDWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F9N/c10-6(11)7(12)19-2-4(8(13,14)15)1-5(3-19)9(16,17)18/h4-5H,1-3H2.
What are the key properties of 1-(1,2,2-trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine?
1-(1,2,2-trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine has a molecular weight of 301.15 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 121241192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).