1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperidine

C8H9F6N — CID 121241190

IUPAC1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperidine
SMILESFC(F)=C(F)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H9F6N/c9-6(10)7(11)15-3-1-5(2-4-15)8(12,13)14/h5H,1-4H2
InChIKeyQHVBGSCOZLWMSY-UHFFFAOYSA-N
MW233.15 g/mol
LogP3.30
Rot. Bonds1

About 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperidine

1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperidine (PubChem CID 121241190) has the molecular formula C8H9F6N and a molecular weight of 233.15 g/mol. Its IUPAC name is 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperidine
PubChem CID121241190
Molecular FormulaC8H9F6N
Molecular Weight233.15 g/mol
Exact Mass233.06
IUPAC Name1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperidine
SMILESFC(F)=C(F)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H9F6N/c9-6(10)7(11)15-3-1-5(2-4-15)8(12,13)14/h5H,1-4H2
InChIKeyQHVBGSCOZLWMSY-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.30
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)-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperidine (CID 121241190) is 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperidine is FC(F)=C(F)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperidine?
The InChIKey is QHVBGSCOZLWMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6N/c9-6(10)7(11)15-3-1-5(2-4-15)8(12,13)14/h5H,1-4H2.
What are the key properties of 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperidine?
1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperidine has a molecular weight of 233.15 g/mol, XLogP of 3.30, 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)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 121241190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).