1-(3-fluorophenyl)-N-naphthalen-2-ylmethanimine

C17H12FN — CID 720892

IUPAC1-(3-fluorophenyl)-N-naphthalen-2-ylmethanimine
SMILESFc1cccc(/C=N/c2ccc3ccccc3c2)c1
InChIInChI=1S/C17H12FN/c18-16-7-3-4-13(10-16)12-19-17-9-8-14-5-1-2-6-15(14)11-17/h1-12H/b19-12+
InChIKeyIWVDSCZVCPBFPH-XDHOZWIPSA-N
MW249.29 g/mol
LogP4.73
Rot. Bonds2

About 1-(3-fluorophenyl)-N-naphthalen-2-ylmethanimine

1-(3-fluorophenyl)-N-naphthalen-2-ylmethanimine (PubChem CID 720892) has the molecular formula C17H12FN and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-naphthalen-2-ylmethanimine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-naphthalen-2-ylmethanimine
PubChem CID720892
Molecular FormulaC17H12FN
Molecular Weight249.29 g/mol
Exact Mass249.10
IUPAC Name1-(3-fluorophenyl)-N-naphthalen-2-ylmethanimine
SMILESFc1cccc(/C=N/c2ccc3ccccc3c2)c1
InChIInChI=1S/C17H12FN/c18-16-7-3-4-13(10-16)12-19-17-9-8-14-5-1-2-6-15(14)11-17/h1-12H/b19-12+
InChIKeyIWVDSCZVCPBFPH-XDHOZWIPSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-naphthalen-2-ylmethanimine?
The IUPAC name of 1-(3-fluorophenyl)-N-naphthalen-2-ylmethanimine (CID 720892) is 1-(3-fluorophenyl)-N-naphthalen-2-ylmethanimine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-naphthalen-2-ylmethanimine?
The canonical SMILES for 1-(3-fluorophenyl)-N-naphthalen-2-ylmethanimine is Fc1cccc(/C=N/c2ccc3ccccc3c2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-naphthalen-2-ylmethanimine?
The InChIKey is IWVDSCZVCPBFPH-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H12FN/c18-16-7-3-4-13(10-16)12-19-17-9-8-14-5-1-2-6-15(14)11-17/h1-12H/b19-12+.
What are the key properties of 1-(3-fluorophenyl)-N-naphthalen-2-ylmethanimine?
1-(3-fluorophenyl)-N-naphthalen-2-ylmethanimine has a molecular weight of 249.29 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-naphthalen-2-ylmethanimine is sourced from PubChem (CID 720892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).