4-[(2E,4E,6Z)-5-fluoroocta-2,4,6-trien-2-yl]-1,2-dimethylimidazole

C13H17FN2 — CID 144654333

IUPAC4-[(2E,4E,6Z)-5-fluoroocta-2,4,6-trien-2-yl]-1,2-dimethylimidazole
SMILESC/C=C\C(F)=C/C=C(\C)c1cn(C)c(C)n1
InChIInChI=1S/C13H17FN2/c1-5-6-12(14)8-7-10(2)13-9-16(4)11(3)15-13/h5-9H,1-4H3/b6-5-,10-7+,12-8+
InChIKeyDVRFPNIGPAFPIN-AUTLXHKSSA-N
MW220.29 g/mol
LogP3.56
Rot. Bonds3

About 4-[(2E,4E,6Z)-5-fluoroocta-2,4,6-trien-2-yl]-1,2-dimethylimidazole

4-[(2E,4E,6Z)-5-fluoroocta-2,4,6-trien-2-yl]-1,2-dimethylimidazole (PubChem CID 144654333) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-[(2E,4E,6Z)-5-fluoroocta-2,4,6-trien-2-yl]-1,2-dimethylimidazole.

Molecular Properties

Compound Name4-[(2E,4E,6Z)-5-fluoroocta-2,4,6-trien-2-yl]-1,2-dimethylimidazole
PubChem CID144654333
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name4-[(2E,4E,6Z)-5-fluoroocta-2,4,6-trien-2-yl]-1,2-dimethylimidazole
SMILESC/C=C\C(F)=C/C=C(\C)c1cn(C)c(C)n1
InChIInChI=1S/C13H17FN2/c1-5-6-12(14)8-7-10(2)13-9-16(4)11(3)15-13/h5-9H,1-4H3/b6-5-,10-7+,12-8+
InChIKeyDVRFPNIGPAFPIN-AUTLXHKSSA-N
XLogP3.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1-methylimidazol-4-yl)prop-2-enenitrile
CID 5468971
5H-Pyrrolo[1,2-c]imidazole
CID 12275054
1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(1-methylpropyl)-, (E)-
CID 6442774
1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(2-methylpropyl)-, (E)-
CID 6442784
4-Methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium
CID 59431281
2-fluoro-N,N-dimethyl-3-(2-methyl-3-propan-2-ylimidazol-4-yl)prop-2-enamide
CID 66640194
3-[4-[2-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-7-methylidene-8H-imidazo[1,2-a]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 87057977
(1E,3E)-4-fluoro-5-hydrazinyl-2-(1-methylimidazol-4-yl)hexa-1,3,5-trien-1-amine
CID 89168088
2-(5-Fluorohexa-2,4-dien-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 123942235
5-[(3E)-3-fluoropenta-1,3-dien-2-yl]-1-methylimidazole
CID 129296647
5-(5-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-1H-imidazole
CID 130459148
1-[(3E,5Z)-7-bromo-2-fluoroocta-3,5,7-trien-4-yl]-2-(2-butan-2-yl-6-methylcyclohexa-1,3-dien-1-yl)-4-prop-1-en-2-ylimidazole
CID 134286816

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E,6Z)-5-fluoroocta-2,4,6-trien-2-yl]-1,2-dimethylimidazole?
The IUPAC name of 4-[(2E,4E,6Z)-5-fluoroocta-2,4,6-trien-2-yl]-1,2-dimethylimidazole (CID 144654333) is 4-[(2E,4E,6Z)-5-fluoroocta-2,4,6-trien-2-yl]-1,2-dimethylimidazole.
What is the SMILES notation for 4-[(2E,4E,6Z)-5-fluoroocta-2,4,6-trien-2-yl]-1,2-dimethylimidazole?
The canonical SMILES for 4-[(2E,4E,6Z)-5-fluoroocta-2,4,6-trien-2-yl]-1,2-dimethylimidazole is C/C=C\C(F)=C/C=C(\C)c1cn(C)c(C)n1.
What is the InChIKey of 4-[(2E,4E,6Z)-5-fluoroocta-2,4,6-trien-2-yl]-1,2-dimethylimidazole?
The InChIKey is DVRFPNIGPAFPIN-AUTLXHKSSA-N. The full InChI is InChI=1S/C13H17FN2/c1-5-6-12(14)8-7-10(2)13-9-16(4)11(3)15-13/h5-9H,1-4H3/b6-5-,10-7+,12-8+.
What are the key properties of 4-[(2E,4E,6Z)-5-fluoroocta-2,4,6-trien-2-yl]-1,2-dimethylimidazole?
4-[(2E,4E,6Z)-5-fluoroocta-2,4,6-trien-2-yl]-1,2-dimethylimidazole has a molecular weight of 220.29 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E,6Z)-5-fluoroocta-2,4,6-trien-2-yl]-1,2-dimethylimidazole is sourced from PubChem (CID 144654333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).