4-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-2,3-dihydro-1H-imidazole

C11H13FN2 — CID 174192470

IUPAC4-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-2,3-dihydro-1H-imidazole
SMILESC=C/C=C\C(C1=CNCN1)=C(\F)C=C
InChIInChI=1S/C11H13FN2/c1-3-5-6-9(10(12)4-2)11-7-13-8-14-11/h3-7,13-14H,1-2,8H2/b6-5-,10-9-
InChIKeyGNIHORCFPORTDA-WBHJMADESA-N
MW192.24 g/mol
LogP2.13
Rot. Bonds4

About 4-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-2,3-dihydro-1H-imidazole

4-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-2,3-dihydro-1H-imidazole (PubChem CID 174192470) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-2,3-dihydro-1H-imidazole
PubChem CID174192470
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name4-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-2,3-dihydro-1H-imidazole
SMILESC=C/C=C\C(C1=CNCN1)=C(\F)C=C
InChIInChI=1S/C11H13FN2/c1-3-5-6-9(10(12)4-2)11-7-13-8-14-11/h3-7,13-14H,1-2,8H2/b6-5-,10-9-
InChIKeyGNIHORCFPORTDA-WBHJMADESA-N
XLogP2.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-2,3-dihydro-1H-imidazole?
The IUPAC name of 4-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-2,3-dihydro-1H-imidazole (CID 174192470) is 4-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 4-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-2,3-dihydro-1H-imidazole?
The canonical SMILES for 4-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-2,3-dihydro-1H-imidazole is C=C/C=C\C(C1=CNCN1)=C(\F)C=C.
What is the InChIKey of 4-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-2,3-dihydro-1H-imidazole?
The InChIKey is GNIHORCFPORTDA-WBHJMADESA-N. The full InChI is InChI=1S/C11H13FN2/c1-3-5-6-9(10(12)4-2)11-7-13-8-14-11/h3-7,13-14H,1-2,8H2/b6-5-,10-9-.
What are the key properties of 4-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-2,3-dihydro-1H-imidazole?
4-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-2,3-dihydro-1H-imidazole has a molecular weight of 192.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z,5Z)-3-fluoroocta-1,3,5,7-tetraen-4-yl]-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 174192470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).