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

C11H21FN2O — CID 129313631

IUPAC(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine
SMILESC/C=C(\C=C/CCN)C(OC)C(N)CF
InChIInChI=1S/C11H21FN2O/c1-3-9(6-4-5-7-13)11(15-2)10(14)8-12/h3-4,6,10-11H,5,7-8,13-14H2,1-2H3/b6-4-,9-3+
InChIKeyVKKDQHPOQKKYDA-ALQLSLDWSA-N
MW216.30 g/mol
LogP1.15
Rot. Bonds7

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

(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine (PubChem CID 129313631) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is (Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine.

Molecular Properties

Compound Name(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine
PubChem CID129313631
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine
SMILESC/C=C(\C=C/CCN)C(OC)C(N)CF
InChIInChI=1S/C11H21FN2O/c1-3-9(6-4-5-7-13)11(15-2)10(14)8-12/h3-4,6,10-11H,5,7-8,13-14H2,1-2H3/b6-4-,9-3+
InChIKeyVKKDQHPOQKKYDA-ALQLSLDWSA-N
XLogP1.15
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine?
The IUPAC name of (Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine (CID 129313631) is (Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine.
What is the SMILES notation for (Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine?
The canonical SMILES for (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.
What is the InChIKey of (Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine?
The InChIKey is VKKDQHPOQKKYDA-ALQLSLDWSA-N. The full InChI is InChI=1S/C11H21FN2O/c1-3-9(6-4-5-7-13)11(15-2)10(14)8-12/h3-4,6,10-11H,5,7-8,13-14H2,1-2H3/b6-4-,9-3+.
What are the key properties of (Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine?
(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine has a molecular weight of 216.30 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine is sourced from PubChem (CID 129313631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).