N-benzyl-2-fluoro-2,3-dihydroinden-1-imine

C16H14FN — CID 135077780

IUPACN-benzyl-2-fluoro-2,3-dihydroinden-1-imine
SMILESFC1Cc2ccccc2/C1=N/Cc1ccccc1
InChIInChI=1S/C16H14FN/c17-15-10-13-8-4-5-9-14(13)16(15)18-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2/b18-16-
InChIKeyMVFOHQVNQAOVEN-VLGSPTGOSA-N
MW239.29 g/mol
LogP3.57
Rot. Bonds2

About N-benzyl-2-fluoro-2,3-dihydroinden-1-imine

N-benzyl-2-fluoro-2,3-dihydroinden-1-imine (PubChem CID 135077780) has the molecular formula C16H14FN and a molecular weight of 239.29 g/mol. Its IUPAC name is N-benzyl-2-fluoro-2,3-dihydroinden-1-imine.

Molecular Properties

Compound NameN-benzyl-2-fluoro-2,3-dihydroinden-1-imine
PubChem CID135077780
Molecular FormulaC16H14FN
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC NameN-benzyl-2-fluoro-2,3-dihydroinden-1-imine
SMILESFC1Cc2ccccc2/C1=N/Cc1ccccc1
InChIInChI=1S/C16H14FN/c17-15-10-13-8-4-5-9-14(13)16(15)18-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2/b18-16-
InChIKeyMVFOHQVNQAOVEN-VLGSPTGOSA-N
XLogP3.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzyl-2-fluoro-2,3-dihydroinden-1-imine with MolForge

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

Launch Full Analysis

Related Compounds

3,4-Dihydro-1-(phenylmethyl)isoquinoline
CID 32719
N-benzyl-2,3-dihydroinden-1-imine oxide
CID 145982114
2,5-diphenyl-3,4-dihydro-2H-pyrrole
CID 279812
N-benzyl-1-(4-fluorophenyl)ethanimine
CID 86149422
N-benzyl-1-phenylethanimine
CID 297338
1-phenyl-N-(1-phenylethyl)ethanimine
CID 10680615
5-methyl-7~{H}-benzo[d][2]benzazepine
CID 134129091
N-Benzyl-1-phenyl-2,2,2-trifluoroethaneimine
CID 10912345
N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11737493
1-Methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline
CID 102037146
N-benzyl-1-(4-fluorophenyl)-4-isocyanobutan-1-imine
CID 135072245
(2S)-3-(4-fluorophenyl)-2-phenyl-2H-azirine
CID 138980096

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluoro-2,3-dihydroinden-1-imine?
The IUPAC name of N-benzyl-2-fluoro-2,3-dihydroinden-1-imine (CID 135077780) is N-benzyl-2-fluoro-2,3-dihydroinden-1-imine.
What is the SMILES notation for N-benzyl-2-fluoro-2,3-dihydroinden-1-imine?
The canonical SMILES for N-benzyl-2-fluoro-2,3-dihydroinden-1-imine is FC1Cc2ccccc2/C1=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-2-fluoro-2,3-dihydroinden-1-imine?
The InChIKey is MVFOHQVNQAOVEN-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H14FN/c17-15-10-13-8-4-5-9-14(13)16(15)18-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2/b18-16-.
What are the key properties of N-benzyl-2-fluoro-2,3-dihydroinden-1-imine?
N-benzyl-2-fluoro-2,3-dihydroinden-1-imine has a molecular weight of 239.29 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluoro-2,3-dihydroinden-1-imine is sourced from PubChem (CID 135077780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).