(1Z)-2-ethenyl-1-[(4Z,6E)-4-ethenyl-6-fluoroocta-4,6-dienylidene]guanidine

C13H18FN3 — CID 164589470

IUPAC(1Z)-2-ethenyl-1-[(4Z,6E)-4-ethenyl-6-fluoroocta-4,6-dienylidene]guanidine
SMILESC=C/N=C(N)/N=C\CC/C(C=C)=C/C(F)=C\C
InChIInChI=1S/C13H18FN3/c1-4-11(10-12(14)5-2)8-7-9-17-13(15)16-6-3/h4-6,9-10H,1,3,7-8H2,2H3,(H2,15,16)/b11-10+,12-5+,17-9-
InChIKeyLOCYKNCADYNGLX-OEJMZFOLSA-N
MW235.31 g/mol
LogP3.28
Rot. Bonds6

About (1Z)-2-ethenyl-1-[(4Z,6E)-4-ethenyl-6-fluoroocta-4,6-dienylidene]guanidine

(1Z)-2-ethenyl-1-[(4Z,6E)-4-ethenyl-6-fluoroocta-4,6-dienylidene]guanidine (PubChem CID 164589470) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is (1Z)-2-ethenyl-1-[(4Z,6E)-4-ethenyl-6-fluoroocta-4,6-dienylidene]guanidine.

Molecular Properties

Compound Name(1Z)-2-ethenyl-1-[(4Z,6E)-4-ethenyl-6-fluoroocta-4,6-dienylidene]guanidine
PubChem CID164589470
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name(1Z)-2-ethenyl-1-[(4Z,6E)-4-ethenyl-6-fluoroocta-4,6-dienylidene]guanidine
SMILESC=C/N=C(N)/N=C\CC/C(C=C)=C/C(F)=C\C
InChIInChI=1S/C13H18FN3/c1-4-11(10-12(14)5-2)8-7-9-17-13(15)16-6-3/h4-6,9-10H,1,3,7-8H2,2H3,(H2,15,16)/b11-10+,12-5+,17-9-
InChIKeyLOCYKNCADYNGLX-OEJMZFOLSA-N
XLogP3.28
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[(1E,4E,6Z)-4-fluoro-2,6-dimethylnona-1,4,6,8-tetraenyl]-N-methylideneethanimidamide
CID 142120019
(1Z,4E)-1-(ethylideneamino)-5-[[(Z)-6-fluoro-5-methylidenehept-3-en-2-ylidene]amino]-4-methyl-3-methylidenepenta-1,4-dien-1-amine
CID 173816436
(3E,4Z)-3-(2-fluoroprop-2-enylidene)-2-(methyliminomethyl)hepta-1,4-dien-1-amine
CID 173818793
(Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide
CID 145143694
2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine
CID 129103002
(1Z,3E)-4-(ethenyliminomethyl)-3-ethyl-2-methylhepta-1,3,6-trien-1-amine
CID 134419919
(Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide
CID 137446904
(Z,2Z)-N'-methylidene-2-[(Z)-pent-3-en-2-ylidene]hept-6-ene-1,7-diimine
CID 146321691
(1Z,3Z)-2-[(Z)-2-(ethenyliminomethyl)but-2-enyl]hexa-1,3-dien-1-amine
CID 156300789
2-methyl-N'-[(1Z,3E)-3-methylhepta-1,3-dienyl]propanimidamide
CID 167001296
2-[(1Z,5Z)-5-methyl-3-methylidene-4-propan-2-ylideneocta-1,5,7-trienyl]guanidine
CID 167017040
(Z)-N'-[(1Z,4Z)-4-ethyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide
CID 167106494

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-ethenyl-1-[(4Z,6E)-4-ethenyl-6-fluoroocta-4,6-dienylidene]guanidine?
The IUPAC name of (1Z)-2-ethenyl-1-[(4Z,6E)-4-ethenyl-6-fluoroocta-4,6-dienylidene]guanidine (CID 164589470) is (1Z)-2-ethenyl-1-[(4Z,6E)-4-ethenyl-6-fluoroocta-4,6-dienylidene]guanidine.
What is the SMILES notation for (1Z)-2-ethenyl-1-[(4Z,6E)-4-ethenyl-6-fluoroocta-4,6-dienylidene]guanidine?
The canonical SMILES for (1Z)-2-ethenyl-1-[(4Z,6E)-4-ethenyl-6-fluoroocta-4,6-dienylidene]guanidine is C=C/N=C(N)/N=C\CC/C(C=C)=C/C(F)=C\C.
What is the InChIKey of (1Z)-2-ethenyl-1-[(4Z,6E)-4-ethenyl-6-fluoroocta-4,6-dienylidene]guanidine?
The InChIKey is LOCYKNCADYNGLX-OEJMZFOLSA-N. The full InChI is InChI=1S/C13H18FN3/c1-4-11(10-12(14)5-2)8-7-9-17-13(15)16-6-3/h4-6,9-10H,1,3,7-8H2,2H3,(H2,15,16)/b11-10+,12-5+,17-9-.
What are the key properties of (1Z)-2-ethenyl-1-[(4Z,6E)-4-ethenyl-6-fluoroocta-4,6-dienylidene]guanidine?
(1Z)-2-ethenyl-1-[(4Z,6E)-4-ethenyl-6-fluoroocta-4,6-dienylidene]guanidine has a molecular weight of 235.31 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-ethenyl-1-[(4Z,6E)-4-ethenyl-6-fluoroocta-4,6-dienylidene]guanidine is sourced from PubChem (CID 164589470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).