(3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine

C13H20FN — CID 170081889

IUPAC(3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine
SMILESC/C=C(F)\C=C/C(C)=N/C=C(\C)C(C)C
InChIInChI=1S/C13H20FN/c1-6-13(14)8-7-12(5)15-9-11(4)10(2)3/h6-10H,1-5H3/b8-7-,11-9+,13-6+,15-12+
InChIKeyLAPQHLVOSCZJIS-VNFNVARVSA-N
MW209.31 g/mol
LogP4.44
Rot. Bonds4

About (3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine

(3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine (PubChem CID 170081889) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is (3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine
PubChem CID170081889
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name(3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine
SMILESC/C=C(F)\C=C/C(C)=N/C=C(\C)C(C)C
InChIInChI=1S/C13H20FN/c1-6-13(14)8-7-12(5)15-9-11(4)10(2)3/h6-10H,1-5H3/b8-7-,11-9+,13-6+,15-12+
InChIKeyLAPQHLVOSCZJIS-VNFNVARVSA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 54.44
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 (3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine?
The IUPAC name of (3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine (CID 170081889) is (3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine?
The canonical SMILES for (3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine is C/C=C(F)\C=C/C(C)=N/C=C(\C)C(C)C.
What is the InChIKey of (3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine?
The InChIKey is LAPQHLVOSCZJIS-VNFNVARVSA-N. The full InChI is InChI=1S/C13H20FN/c1-6-13(14)8-7-12(5)15-9-11(4)10(2)3/h6-10H,1-5H3/b8-7-,11-9+,13-6+,15-12+.
What are the key properties of (3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine?
(3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine has a molecular weight of 209.31 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine is sourced from PubChem (CID 170081889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).