3-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]azete

C11H10FN — CID 129225443

IUPAC3-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]azete
SMILESFC1=C(\C2=CN=C2)CC/C=C/C=C\1
InChIInChI=1S/C11H10FN/c12-11-6-4-2-1-3-5-10(11)9-7-13-8-9/h1-2,4,6-8H,3,5H2/b2-1-,6-4-,11-10-
InChIKeyZRJOZOQHMPFAOJ-DBRWCQASSA-N
MW175.21 g/mol
LogP3.08
Rot. Bonds1

About 3-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]azete

3-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]azete (PubChem CID 129225443) has the molecular formula C11H10FN and a molecular weight of 175.21 g/mol. Its IUPAC name is 3-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]azete.

Molecular Properties

Compound Name3-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]azete
PubChem CID129225443
Molecular FormulaC11H10FN
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name3-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]azete
SMILESFC1=C(\C2=CN=C2)CC/C=C/C=C\1
InChIInChI=1S/C11H10FN/c12-11-6-4-2-1-3-5-10(11)9-7-13-8-9/h1-2,4,6-8H,3,5H2/b2-1-,6-4-,11-10-
InChIKeyZRJOZOQHMPFAOJ-DBRWCQASSA-N
XLogP3.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[(Z)-3-fluoro-2-methylprop-1-enyl]-5-methyl-4H-azepine
CID 142943295
(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 143759855
(Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 145480550
3-[(5E)-2-fluorocycloocta-1,3,5-trien-1-yl]azete
CID 173693688
N-[(1E)-3-cyclohexa-1,3-dien-1-yl-2-fluorobuta-1,3-dienyl]methanimine
CID 177366806
Tetrahydrodibenzo[c,f][1,5]azabismocine
CID 170984119
3-Pentylazocine
CID 57204352
5-Prop-2-enylcyclopenta[c]pyrrole
CID 70163046
7-Methylidene-5,6-dihydro-2-benzazepine
CID 90989910
4-methyl-7,8-dihydro-5H-cyclopenta[c]azocine
CID 123558907
N-ethenyl-1-[(1E,3Z,7E)-8-methylcycloocta-1,3,7-trien-1-yl]methanimine
CID 126516080
3-[(3E,5Z)-2-methylocta-1,3,5,7-tetraen-4-yl]azete
CID 129225439

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]azete?
The IUPAC name of 3-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]azete (CID 129225443) is 3-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]azete.
What is the SMILES notation for 3-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]azete?
The canonical SMILES for 3-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]azete is FC1=C(\C2=CN=C2)CC/C=C/C=C\1.
What is the InChIKey of 3-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]azete?
The InChIKey is ZRJOZOQHMPFAOJ-DBRWCQASSA-N. The full InChI is InChI=1S/C11H10FN/c12-11-6-4-2-1-3-5-10(11)9-7-13-8-9/h1-2,4,6-8H,3,5H2/b2-1-,6-4-,11-10-.
What are the key properties of 3-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]azete?
3-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]azete has a molecular weight of 175.21 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]azete is sourced from PubChem (CID 129225443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).