1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine

C9H12FN — CID 146585989

IUPAC1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
SMILESC/N=C(\C)C1=C(F)C=CCC1
InChIInChI=1S/C9H12FN/c1-7(11-2)8-5-3-4-6-9(8)10/h4,6H,3,5H2,1-2H3/b11-7+
InChIKeyOIWLKRAVEPLEPG-YRNVUSSQSA-N
MW153.20 g/mol
LogP2.65
Rot. Bonds1

About 1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine

1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine (PubChem CID 146585989) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine.

Molecular Properties

Compound Name1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
PubChem CID146585989
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
SMILESC/N=C(\C)C1=C(F)C=CCC1
InChIInChI=1S/C9H12FN/c1-7(11-2)8-5-3-4-6-9(8)10/h4,6H,3,5H2,1-2H3/b11-7+
InChIKeyOIWLKRAVEPLEPG-YRNVUSSQSA-N
XLogP2.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine?
The IUPAC name of 1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine (CID 146585989) is 1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine.
What is the SMILES notation for 1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine?
The canonical SMILES for 1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine is C/N=C(\C)C1=C(F)C=CCC1.
What is the InChIKey of 1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine?
The InChIKey is OIWLKRAVEPLEPG-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H12FN/c1-7(11-2)8-5-3-4-6-9(8)10/h4,6H,3,5H2,1-2H3/b11-7+.
What are the key properties of 1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine?
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine has a molecular weight of 153.20 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine is sourced from PubChem (CID 146585989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).