1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-4-(trifluoromethyl)piperidine

C12H15F8N — CID 134384155

IUPAC1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-4-(trifluoromethyl)piperidine
SMILESC=C(C)C(F)(F)C(F)C(F)(F)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H15F8N/c1-7(2)10(14,15)9(13)12(19,20)21-5-3-8(4-6-21)11(16,17)18/h8-9H,1,3-6H2,2H3
InChIKeyUNYHSLGLOBLOJR-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.40
Rot. Bonds4

About 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-4-(trifluoromethyl)piperidine

1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-4-(trifluoromethyl)piperidine (PubChem CID 134384155) has the molecular formula C12H15F8N and a molecular weight of 325.24 g/mol. Its IUPAC name is 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-4-(trifluoromethyl)piperidine
PubChem CID134384155
Molecular FormulaC12H15F8N
Molecular Weight325.24 g/mol
Exact Mass325.11
IUPAC Name1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-4-(trifluoromethyl)piperidine
SMILESC=C(C)C(F)(F)C(F)C(F)(F)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H15F8N/c1-7(2)10(14,15)9(13)12(19,20)21-5-3-8(4-6-21)11(16,17)18/h8-9H,1,3-6H2,2H3
InChIKeyUNYHSLGLOBLOJR-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-4-(trifluoromethyl)piperidine (CID 134384155) is 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-4-(trifluoromethyl)piperidine is C=C(C)C(F)(F)C(F)C(F)(F)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-4-(trifluoromethyl)piperidine?
The InChIKey is UNYHSLGLOBLOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F8N/c1-7(2)10(14,15)9(13)12(19,20)21-5-3-8(4-6-21)11(16,17)18/h8-9H,1,3-6H2,2H3.
What are the key properties of 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-4-(trifluoromethyl)piperidine?
1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-4-(trifluoromethyl)piperidine has a molecular weight of 325.24 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 134384155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).