N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine

C17H14F3N — CID 2818132

IUPACN-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine
SMILESFC(F)(F)c1ccccc1/N=C1\CCCc2ccccc21
InChIInChI=1S/C17H14F3N/c18-17(19,20)14-9-3-4-10-16(14)21-15-11-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-10H,5,7,11H2/b21-15+
InChIKeyKUMWZJZAWCRQMP-RCCKNPSSSA-N
MW289.30 g/mol
LogP5.16
Rot. Bonds1

About N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine

N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 2818132) has the molecular formula C17H14F3N and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID2818132
Molecular FormulaC17H14F3N
Molecular Weight289.30 g/mol
Exact Mass289.11
IUPAC NameN-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine
SMILESFC(F)(F)c1ccccc1/N=C1\CCCc2ccccc21
InChIInChI=1S/C17H14F3N/c18-17(19,20)14-9-3-4-10-16(14)21-15-11-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-10H,5,7,11H2/b21-15+
InChIKeyKUMWZJZAWCRQMP-RCCKNPSSSA-N
XLogP5.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.30
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine (CID 2818132) is N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine is FC(F)(F)c1ccccc1/N=C1\CCCc2ccccc21.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is KUMWZJZAWCRQMP-RCCKNPSSSA-N. The full InChI is InChI=1S/C17H14F3N/c18-17(19,20)14-9-3-4-10-16(14)21-15-11-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-10H,5,7,11H2/b21-15+.
What are the key properties of N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine?
N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 289.30 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 2818132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).