N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine

C8H10FN — CID 91170852

IUPACN-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
SMILESC=NC(=C)C(F)=CC(=C)C
InChIInChI=1S/C8H10FN/c1-6(2)5-8(9)7(3)10-4/h5H,1,3-4H2,2H3
InChIKeyOPAXTXANOQADLF-UHFFFAOYSA-N
MW139.17 g/mol
LogP2.63
Rot. Bonds3

About N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine

N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine (PubChem CID 91170852) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine.

Molecular Properties

Compound NameN-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
PubChem CID91170852
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC NameN-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
SMILESC=NC(=C)C(F)=CC(=C)C
InChIInChI=1S/C8H10FN/c1-6(2)5-8(9)7(3)10-4/h5H,1,3-4H2,2H3
InChIKeyOPAXTXANOQADLF-UHFFFAOYSA-N
XLogP2.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine 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 N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine?
The IUPAC name of N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine (CID 91170852) is N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine.
What is the SMILES notation for N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine?
The canonical SMILES for N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine is C=NC(=C)C(F)=CC(=C)C.
What is the InChIKey of N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine?
The InChIKey is OPAXTXANOQADLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-6(2)5-8(9)7(3)10-4/h5H,1,3-4H2,2H3.
What are the key properties of N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine?
N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine has a molecular weight of 139.17 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine is sourced from PubChem (CID 91170852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).