1-(1,1,2,3,3-pentafluoropent-4-enyl)-3,5-bis(trifluoromethyl)piperidine

C12H12F11N — CID 134384149

IUPAC1-(1,1,2,3,3-pentafluoropent-4-enyl)-3,5-bis(trifluoromethyl)piperidine
SMILESC=CC(F)(F)C(F)C(F)(F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C12H12F11N/c1-2-9(14,15)8(13)12(22,23)24-4-6(10(16,17)18)3-7(5-24)11(19,20)21/h2,6-8H,1,3-5H2
InChIKeyQDZZNTAOBFAWKL-UHFFFAOYSA-N
MW379.21 g/mol
LogP4.80
Rot. Bonds4

About 1-(1,1,2,3,3-pentafluoropent-4-enyl)-3,5-bis(trifluoromethyl)piperidine

1-(1,1,2,3,3-pentafluoropent-4-enyl)-3,5-bis(trifluoromethyl)piperidine (PubChem CID 134384149) has the molecular formula C12H12F11N and a molecular weight of 379.21 g/mol. Its IUPAC name is 1-(1,1,2,3,3-pentafluoropent-4-enyl)-3,5-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(1,1,2,3,3-pentafluoropent-4-enyl)-3,5-bis(trifluoromethyl)piperidine
PubChem CID134384149
Molecular FormulaC12H12F11N
Molecular Weight379.21 g/mol
Exact Mass379.08
IUPAC Name1-(1,1,2,3,3-pentafluoropent-4-enyl)-3,5-bis(trifluoromethyl)piperidine
SMILESC=CC(F)(F)C(F)C(F)(F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C12H12F11N/c1-2-9(14,15)8(13)12(22,23)24-4-6(10(16,17)18)3-7(5-24)11(19,20)21/h2,6-8H,1,3-5H2
InChIKeyQDZZNTAOBFAWKL-UHFFFAOYSA-N
XLogP4.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 54.80
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'}

Analyze 1-(1,1,2,3,3-pentafluoropent-4-enyl)-3,5-bis(trifluoromethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3-pentafluoropent-4-enyl)-3,5-bis(trifluoromethyl)piperidine?
The IUPAC name of 1-(1,1,2,3,3-pentafluoropent-4-enyl)-3,5-bis(trifluoromethyl)piperidine (CID 134384149) is 1-(1,1,2,3,3-pentafluoropent-4-enyl)-3,5-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(1,1,2,3,3-pentafluoropent-4-enyl)-3,5-bis(trifluoromethyl)piperidine?
The canonical SMILES for 1-(1,1,2,3,3-pentafluoropent-4-enyl)-3,5-bis(trifluoromethyl)piperidine is C=CC(F)(F)C(F)C(F)(F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1.
What is the InChIKey of 1-(1,1,2,3,3-pentafluoropent-4-enyl)-3,5-bis(trifluoromethyl)piperidine?
The InChIKey is QDZZNTAOBFAWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F11N/c1-2-9(14,15)8(13)12(22,23)24-4-6(10(16,17)18)3-7(5-24)11(19,20)21/h2,6-8H,1,3-5H2.
What are the key properties of 1-(1,1,2,3,3-pentafluoropent-4-enyl)-3,5-bis(trifluoromethyl)piperidine?
1-(1,1,2,3,3-pentafluoropent-4-enyl)-3,5-bis(trifluoromethyl)piperidine has a molecular weight of 379.21 g/mol, XLogP of 4.80, 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-pentafluoropent-4-enyl)-3,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 134384149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).