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

C13H14F11N — CID 134384146

IUPAC1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-3,5-bis(trifluoromethyl)piperidine
SMILESC=C(C)C(F)(F)C(F)C(F)(F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C13H14F11N/c1-6(2)10(15,16)9(14)13(23,24)25-4-7(11(17,18)19)3-8(5-25)12(20,21)22/h7-9H,1,3-5H2,2H3
InChIKeyXQXXDBPSRNIHQY-UHFFFAOYSA-N
MW393.24 g/mol
LogP5.19
Rot. Bonds4

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

1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-3,5-bis(trifluoromethyl)piperidine (PubChem CID 134384146) has the molecular formula C13H14F11N and a molecular weight of 393.24 g/mol. Its IUPAC name is 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-3,5-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-3,5-bis(trifluoromethyl)piperidine
PubChem CID134384146
Molecular FormulaC13H14F11N
Molecular Weight393.24 g/mol
Exact Mass393.10
IUPAC Name1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-3,5-bis(trifluoromethyl)piperidine
SMILESC=C(C)C(F)(F)C(F)C(F)(F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C13H14F11N/c1-6(2)10(15,16)9(14)13(23,24)25-4-7(11(17,18)19)3-8(5-25)12(20,21)22/h7-9H,1,3-5H2,2H3
InChIKeyXQXXDBPSRNIHQY-UHFFFAOYSA-N
XLogP5.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.24
LogP ≤ 55.19
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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Related Compounds

1,3-Dimethyl-4-methylidenepiperidine
CID 23423756
1-Methyl-4-methylidenepiperidine;1,1,1-trifluoroethane
CID 54257027
4-Methylidene-1-(2,2,2-trifluoroethyl)piperidine
CID 58902685
1-(2,2-Difluoroethyl)-4-methylidenepiperidine
CID 58902726
1-(4-Fluorobutyl)-4-prop-1-en-2-ylpiperidine
CID 89140664
1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 124118178
1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]piperidine
CID 124118182
1-[1,2-Difluoro-2-(trifluoromethyl)but-3-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 124118185
1-(1,2,2-Trifluoro-3-methylbut-3-enyl)piperidine
CID 124118195
1-(1,2,2-Trifluorobut-3-enyl)-3,5-bis(trifluoromethyl)piperidine
CID 124118196
3,5-Bis(trifluoromethyl)-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine
CID 124118197
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 129207485

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-3,5-bis(trifluoromethyl)piperidine?
The IUPAC name of 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-3,5-bis(trifluoromethyl)piperidine (CID 134384146) is 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-3,5-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-3,5-bis(trifluoromethyl)piperidine?
The canonical SMILES for 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-3,5-bis(trifluoromethyl)piperidine is C=C(C)C(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-pentafluoro-4-methylpent-4-enyl)-3,5-bis(trifluoromethyl)piperidine?
The InChIKey is XQXXDBPSRNIHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F11N/c1-6(2)10(15,16)9(14)13(23,24)25-4-7(11(17,18)19)3-8(5-25)12(20,21)22/h7-9H,1,3-5H2,2H3.
What are the key properties of 1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-3,5-bis(trifluoromethyl)piperidine?
1-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)-3,5-bis(trifluoromethyl)piperidine has a molecular weight of 393.24 g/mol, XLogP of 5.19, 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)-3,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 134384146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).