ethene;(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine

C13H25FN2O — CID 143418344

IUPACethene;(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine
SMILESC/C=C(\C=C/CCN)C(OC)C(N)CF.C=C
InChIInChI=1S/C11H21FN2O.C2H4/c1-3-9(6-4-5-7-13)11(15-2)10(14)8-12;1-2/h3-4,6,10-11H,5,7-8,13-14H2,1-2H3;1-2H2/b6-4-,9-3+;
InChIKeyJRNTYXRGGRHTOH-ANZGCBAVSA-N
MW244.35 g/mol
LogP1.95
Rot. Bonds7

About ethene;(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine

ethene;(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine (PubChem CID 143418344) has the molecular formula C13H25FN2O and a molecular weight of 244.35 g/mol. Its IUPAC name is ethene;(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine.

Molecular Properties

Compound Nameethene;(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine
PubChem CID143418344
Molecular FormulaC13H25FN2O
Molecular Weight244.35 g/mol
Exact Mass244.20
IUPAC Nameethene;(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine
SMILESC/C=C(\C=C/CCN)C(OC)C(N)CF.C=C
InChIInChI=1S/C11H21FN2O.C2H4/c1-3-9(6-4-5-7-13)11(15-2)10(14)8-12;1-2/h3-4,6,10-11H,5,7-8,13-14H2,1-2H3;1-2H2/b6-4-,9-3+;
InChIKeyJRNTYXRGGRHTOH-ANZGCBAVSA-N
XLogP1.95
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine?
The IUPAC name of ethene;(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine (CID 143418344) is ethene;(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine.
What is the SMILES notation for ethene;(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine?
The canonical SMILES for ethene;(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine is C/C=C(\C=C/CCN)C(OC)C(N)CF.C=C.
What is the InChIKey of ethene;(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine?
The InChIKey is JRNTYXRGGRHTOH-ANZGCBAVSA-N. The full InChI is InChI=1S/C11H21FN2O.C2H4/c1-3-9(6-4-5-7-13)11(15-2)10(14)8-12;1-2/h3-4,6,10-11H,5,7-8,13-14H2,1-2H3;1-2H2/b6-4-,9-3+;.
What are the key properties of ethene;(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine?
ethene;(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine has a molecular weight of 244.35 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine is sourced from PubChem (CID 143418344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).