(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine

C13H20FN — CID 177040457

IUPAC(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine
SMILESC/C=C(C)\N=C(\C=C(F)/C(C)=C\C)CC
InChIInChI=1S/C13H20FN/c1-6-10(4)13(14)9-12(8-3)15-11(5)7-2/h6-7,9H,8H2,1-5H3/b10-6-,11-7-,13-9+,15-12+
InChIKeyRSQWIHICILNKQD-PSFUYAAPSA-N
MW209.31 g/mol
LogP4.58
Rot. Bonds4

About (4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine

(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine (PubChem CID 177040457) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is (4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine
PubChem CID177040457
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine
SMILESC/C=C(C)\N=C(\C=C(F)/C(C)=C\C)CC
InChIInChI=1S/C13H20FN/c1-6-10(4)13(14)9-12(8-3)15-11(5)7-2/h6-7,9H,8H2,1-5H3/b10-6-,11-7-,13-9+,15-12+
InChIKeyRSQWIHICILNKQD-PSFUYAAPSA-N
XLogP4.58
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 ≤ 54.58
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 (4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine?
The IUPAC name of (4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine (CID 177040457) is (4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine.
What is the SMILES notation for (4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine?
The canonical SMILES for (4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine is C/C=C(C)\N=C(\C=C(F)/C(C)=C\C)CC.
What is the InChIKey of (4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine?
The InChIKey is RSQWIHICILNKQD-PSFUYAAPSA-N. The full InChI is InChI=1S/C13H20FN/c1-6-10(4)13(14)9-12(8-3)15-11(5)7-2/h6-7,9H,8H2,1-5H3/b10-6-,11-7-,13-9+,15-12+.
What are the key properties of (4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine?
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine has a molecular weight of 209.31 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine is sourced from PubChem (CID 177040457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).