N-(4-fluorophenyl)-1-(5-methylfuran-2-yl)methanimine

C12H10FNO — CID 794165

IUPACN-(4-fluorophenyl)-1-(5-methylfuran-2-yl)methanimine
SMILESCc1ccc(/C=N/c2ccc(F)cc2)o1
InChIInChI=1S/C12H10FNO/c1-9-2-7-12(15-9)8-14-11-5-3-10(13)4-6-11/h2-8H,1H3/b14-8+
InChIKeySNXIYRZZDGZYJW-RIYZIHGNSA-N
MW203.22 g/mol
LogP3.48
Rot. Bonds2

About N-(4-fluorophenyl)-1-(5-methylfuran-2-yl)methanimine

N-(4-fluorophenyl)-1-(5-methylfuran-2-yl)methanimine (PubChem CID 794165) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(5-methylfuran-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(5-methylfuran-2-yl)methanimine
PubChem CID794165
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC NameN-(4-fluorophenyl)-1-(5-methylfuran-2-yl)methanimine
SMILESCc1ccc(/C=N/c2ccc(F)cc2)o1
InChIInChI=1S/C12H10FNO/c1-9-2-7-12(15-9)8-14-11-5-3-10(13)4-6-11/h2-8H,1H3/b14-8+
InChIKeySNXIYRZZDGZYJW-RIYZIHGNSA-N
XLogP3.48
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-fluorophenyl)-1-(5-methylfuran-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-(4-fluorophenyl)-1-(5-methylfuran-2-yl)methanimine?
The IUPAC name of N-(4-fluorophenyl)-1-(5-methylfuran-2-yl)methanimine (CID 794165) is N-(4-fluorophenyl)-1-(5-methylfuran-2-yl)methanimine.
What is the SMILES notation for N-(4-fluorophenyl)-1-(5-methylfuran-2-yl)methanimine?
The canonical SMILES for N-(4-fluorophenyl)-1-(5-methylfuran-2-yl)methanimine is Cc1ccc(/C=N/c2ccc(F)cc2)o1.
What is the InChIKey of N-(4-fluorophenyl)-1-(5-methylfuran-2-yl)methanimine?
The InChIKey is SNXIYRZZDGZYJW-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H10FNO/c1-9-2-7-12(15-9)8-14-11-5-3-10(13)4-6-11/h2-8H,1H3/b14-8+.
What are the key properties of N-(4-fluorophenyl)-1-(5-methylfuran-2-yl)methanimine?
N-(4-fluorophenyl)-1-(5-methylfuran-2-yl)methanimine has a molecular weight of 203.22 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(5-methylfuran-2-yl)methanimine is sourced from PubChem (CID 794165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).