(2Z,4Z)-1-(4-fluoro-5,5-dimethylcyclopenta-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine

C17H24FN — CID 166646201

IUPAC(2Z,4Z)-1-(4-fluoro-5,5-dimethylcyclopenta-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine
SMILESCC/C=C\C=C/C(=N\C(C)C)C1=CC=C(F)C1(C)C
InChIInChI=1S/C17H24FN/c1-6-7-8-9-10-15(19-13(2)3)14-11-12-16(18)17(14,4)5/h7-13H,6H2,1-5H3/b8-7-,10-9-,19-15+
InChIKeyJHTUGXOPHAOTSI-GZNBTKOVSA-N
MW261.38 g/mol
LogP5.18
Rot. Bonds5

About (2Z,4Z)-1-(4-fluoro-5,5-dimethylcyclopenta-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine

(2Z,4Z)-1-(4-fluoro-5,5-dimethylcyclopenta-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine (PubChem CID 166646201) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is (2Z,4Z)-1-(4-fluoro-5,5-dimethylcyclopenta-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-1-(4-fluoro-5,5-dimethylcyclopenta-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine
PubChem CID166646201
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name(2Z,4Z)-1-(4-fluoro-5,5-dimethylcyclopenta-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine
SMILESCC/C=C\C=C/C(=N\C(C)C)C1=CC=C(F)C1(C)C
InChIInChI=1S/C17H24FN/c1-6-7-8-9-10-15(19-13(2)3)14-11-12-16(18)17(14,4)5/h7-13H,6H2,1-5H3/b8-7-,10-9-,19-15+
InChIKeyJHTUGXOPHAOTSI-GZNBTKOVSA-N
XLogP5.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.38
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1-(4-fluoro-5,5-dimethylcyclopenta-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-1-(4-fluoro-5,5-dimethylcyclopenta-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine (CID 166646201) is (2Z,4Z)-1-(4-fluoro-5,5-dimethylcyclopenta-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-1-(4-fluoro-5,5-dimethylcyclopenta-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-1-(4-fluoro-5,5-dimethylcyclopenta-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine is CC/C=C\C=C/C(=N\C(C)C)C1=CC=C(F)C1(C)C.
What is the InChIKey of (2Z,4Z)-1-(4-fluoro-5,5-dimethylcyclopenta-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine?
The InChIKey is JHTUGXOPHAOTSI-GZNBTKOVSA-N. The full InChI is InChI=1S/C17H24FN/c1-6-7-8-9-10-15(19-13(2)3)14-11-12-16(18)17(14,4)5/h7-13H,6H2,1-5H3/b8-7-,10-9-,19-15+.
What are the key properties of (2Z,4Z)-1-(4-fluoro-5,5-dimethylcyclopenta-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine?
(2Z,4Z)-1-(4-fluoro-5,5-dimethylcyclopenta-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine has a molecular weight of 261.38 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1-(4-fluoro-5,5-dimethylcyclopenta-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine is sourced from PubChem (CID 166646201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).