N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine

C9H10FN — CID 89198232

IUPACN-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine
SMILESC=NC(=C)C1C=CC(F)=CC1
InChIInChI=1S/C9H10FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3,5-6,8H,1-2,4H2
InChIKeySWXOFOYXWJMNDV-UHFFFAOYSA-N
MW151.18 g/mol
LogP2.63
Rot. Bonds2

About N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine

N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine (PubChem CID 89198232) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine
PubChem CID89198232
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC NameN-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine
SMILESC=NC(=C)C1C=CC(F)=CC1
InChIInChI=1S/C9H10FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3,5-6,8H,1-2,4H2
InChIKeySWXOFOYXWJMNDV-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine?
The IUPAC name of N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine (CID 89198232) is N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine.
What is the SMILES notation for N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine?
The canonical SMILES for N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine is C=NC(=C)C1C=CC(F)=CC1.
What is the InChIKey of N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine?
The InChIKey is SWXOFOYXWJMNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3,5-6,8H,1-2,4H2.
What are the key properties of N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine?
N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine has a molecular weight of 151.18 g/mol, XLogP of 2.63, 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-2,4-dien-1-yl)ethenyl]methanimine is sourced from PubChem (CID 89198232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).