2-[(2Z,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-yl]pyrrolidine

C11H14F3N — CID 155136816

IUPAC2-[(2Z,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-yl]pyrrolidine
SMILESC=C(F)/C(F)=C\C=C(/CF)C1CCCN1
InChIInChI=1S/C11H14F3N/c1-8(13)10(14)5-4-9(7-12)11-3-2-6-15-11/h4-5,11,15H,1-3,6-7H2/b9-4+,10-5+
InChIKeyGAOVMAAZVZENLG-LUZURFALSA-N
MW217.23 g/mol
LogP2.97
Rot. Bonds4

About 2-[(2Z,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-yl]pyrrolidine

2-[(2Z,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-yl]pyrrolidine (PubChem CID 155136816) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-[(2Z,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-yl]pyrrolidine.

Molecular Properties

Compound Name2-[(2Z,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-yl]pyrrolidine
PubChem CID155136816
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name2-[(2Z,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-yl]pyrrolidine
SMILESC=C(F)/C(F)=C\C=C(/CF)C1CCCN1
InChIInChI=1S/C11H14F3N/c1-8(13)10(14)5-4-9(7-12)11-3-2-6-15-11/h4-5,11,15H,1-3,6-7H2/b9-4+,10-5+
InChIKeyGAOVMAAZVZENLG-LUZURFALSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-yl]pyrrolidine?
The IUPAC name of 2-[(2Z,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-yl]pyrrolidine (CID 155136816) is 2-[(2Z,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-yl]pyrrolidine.
What is the SMILES notation for 2-[(2Z,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-yl]pyrrolidine?
The canonical SMILES for 2-[(2Z,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-yl]pyrrolidine is C=C(F)/C(F)=C\C=C(/CF)C1CCCN1.
What is the InChIKey of 2-[(2Z,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-yl]pyrrolidine?
The InChIKey is GAOVMAAZVZENLG-LUZURFALSA-N. The full InChI is InChI=1S/C11H14F3N/c1-8(13)10(14)5-4-9(7-12)11-3-2-6-15-11/h4-5,11,15H,1-3,6-7H2/b9-4+,10-5+.
What are the key properties of 2-[(2Z,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-yl]pyrrolidine?
2-[(2Z,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-yl]pyrrolidine has a molecular weight of 217.23 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-yl]pyrrolidine is sourced from PubChem (CID 155136816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).