(2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine

C10H15FN2 — CID 137466729

IUPAC(2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine
SMILESC=CN/C(C)=C/C(F)=C(N)\C=C/C
InChIInChI=1S/C10H15FN2/c1-4-6-10(12)9(11)7-8(3)13-5-2/h4-7,13H,2,12H2,1,3H3/b6-4-,8-7+,10-9-
InChIKeyFPOLEUUTGSMJHS-QGPBFCFOSA-N
MW182.24 g/mol
LogP2.34
Rot. Bonds4

About (2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine

(2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine (PubChem CID 137466729) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is (2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine.

Molecular Properties

Compound Name(2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine
PubChem CID137466729
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name(2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine
SMILESC=CN/C(C)=C/C(F)=C(N)\C=C/C
InChIInChI=1S/C10H15FN2/c1-4-6-10(12)9(11)7-8(3)13-5-2/h4-7,13H,2,12H2,1,3H3/b6-4-,8-7+,10-9-
InChIKeyFPOLEUUTGSMJHS-QGPBFCFOSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dihydro 4-dimethylamino pyridine
CID 424917
3-Aminoazepine
CID 18755303
6-fluoro-1H-azepin-4-amine
CID 68716508
(1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine
CID 88874406
(1E,3Z)-5-fluorohexa-1,3,5-triene-1,2-diamine
CID 89025484
2-Fluoro-1,2-dihydropyridin-4-amine
CID 89060898
(2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine
CID 89073527
(2E,4E)-5-fluorohexa-2,4-diene-1,4-diamine
CID 89416521
2-Fluoro-6-methyl-1,2-dihydropyridine
CID 90305541
3-Fluoro-1,2-dihydropyridin-5-amine
CID 90362436
3-Fluoro-6-methyl-1,2-dihydropyridine
CID 118486766
5-Fluoro-6-methyl-1,2-dihydropyridine
CID 121322294

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine?
The IUPAC name of (2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine (CID 137466729) is (2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine.
What is the SMILES notation for (2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine?
The canonical SMILES for (2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine is C=CN/C(C)=C/C(F)=C(N)\C=C/C.
What is the InChIKey of (2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine?
The InChIKey is FPOLEUUTGSMJHS-QGPBFCFOSA-N. The full InChI is InChI=1S/C10H15FN2/c1-4-6-10(12)9(11)7-8(3)13-5-2/h4-7,13H,2,12H2,1,3H3/b6-4-,8-7+,10-9-.
What are the key properties of (2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine?
(2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine has a molecular weight of 182.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine is sourced from PubChem (CID 137466729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).