N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine

C9H10FN — CID 70323185

IUPACN-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine
SMILESC=NC(=C)C1=CCC(F)C=C1
InChIInChI=1S/C9H10FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-5,9H,1-2,6H2
InChIKeySRQUEBKIMMERLA-UHFFFAOYSA-N
MW151.18 g/mol
LogP2.43
Rot. Bonds2

About N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine

N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine (PubChem CID 70323185) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine
PubChem CID70323185
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC NameN-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine
SMILESC=NC(=C)C1=CCC(F)C=C1
InChIInChI=1S/C9H10FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-5,9H,1-2,6H2
InChIKeySRQUEBKIMMERLA-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine
CID 89198232
(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
CID 90930168
N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine
CID 91428366
N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)buta-1,3-dienyl]methanimine
CID 123298650
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 134441063
N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
CID 135128525
N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
CID 137467845

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine?
The IUPAC name of N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine (CID 70323185) is N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine.
What is the SMILES notation for N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine?
The canonical SMILES for N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine is C=NC(=C)C1=CCC(F)C=C1.
What is the InChIKey of N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine?
The InChIKey is SRQUEBKIMMERLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-5,9H,1-2,6H2.
What are the key properties of N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine?
N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine has a molecular weight of 151.18 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine is sourced from PubChem (CID 70323185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).