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

C15H26FN — CID 177040942

IUPAC(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine;ethane
SMILESC/C=C(C)\N=C(\C=C(F)/C(C)=C\C)CC.CC
InChIInChI=1S/C13H20FN.C2H6/c1-6-10(4)13(14)9-12(8-3)15-11(5)7-2;1-2/h6-7,9H,8H2,1-5H3;1-2H3/b10-6-,11-7-,13-9+,15-12+;
InChIKeyROCVCRSTECHGTA-KGQPQJEXSA-N
MW239.38 g/mol
LogP5.61
Rot. Bonds4

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

(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine;ethane (PubChem CID 177040942) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is (4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine;ethane.

Molecular Properties

Compound Name(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine;ethane
PubChem CID177040942
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine;ethane
SMILESC/C=C(C)\N=C(\C=C(F)/C(C)=C\C)CC.CC
InChIInChI=1S/C13H20FN.C2H6/c1-6-10(4)13(14)9-12(8-3)15-11(5)7-2;1-2/h6-7,9H,8H2,1-5H3;1-2H3/b10-6-,11-7-,13-9+,15-12+;
InChIKeyROCVCRSTECHGTA-KGQPQJEXSA-N
XLogP5.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.38
LogP ≤ 55.61
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;ethane?
The IUPAC name of (4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine;ethane (CID 177040942) is (4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine;ethane.
What is the SMILES notation for (4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine;ethane?
The canonical SMILES for (4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine;ethane is C/C=C(C)\N=C(\C=C(F)/C(C)=C\C)CC.CC.
What is the InChIKey of (4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine;ethane?
The InChIKey is ROCVCRSTECHGTA-KGQPQJEXSA-N. The full InChI is InChI=1S/C13H20FN.C2H6/c1-6-10(4)13(14)9-12(8-3)15-11(5)7-2;1-2/h6-7,9H,8H2,1-5H3;1-2H3/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;ethane?
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine;ethane has a molecular weight of 239.38 g/mol, XLogP of 5.61, 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;ethane is sourced from PubChem (CID 177040942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).