N-(3-fluorophenyl)-3,3-dimethyl-2H-inden-1-imine

C17H16FN — CID 145427058

IUPACN-(3-fluorophenyl)-3,3-dimethyl-2H-inden-1-imine
SMILESCC1(C)C/C(=N\c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C17H16FN/c1-17(2)11-16(14-8-3-4-9-15(14)17)19-13-7-5-6-12(18)10-13/h3-10H,11H2,1-2H3/b19-16+
InChIKeyPXWANNWMRBYGDO-KNTRCKAVSA-N
MW253.32 g/mol
LogP4.63
Rot. Bonds1

About N-(3-fluorophenyl)-3,3-dimethyl-2H-inden-1-imine

N-(3-fluorophenyl)-3,3-dimethyl-2H-inden-1-imine (PubChem CID 145427058) has the molecular formula C17H16FN and a molecular weight of 253.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3,3-dimethyl-2H-inden-1-imine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3,3-dimethyl-2H-inden-1-imine
PubChem CID145427058
Molecular FormulaC17H16FN
Molecular Weight253.32 g/mol
Exact Mass253.13
IUPAC NameN-(3-fluorophenyl)-3,3-dimethyl-2H-inden-1-imine
SMILESCC1(C)C/C(=N\c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C17H16FN/c1-17(2)11-16(14-8-3-4-9-15(14)17)19-13-7-5-6-12(18)10-13/h3-10H,11H2,1-2H3/b19-16+
InChIKeyPXWANNWMRBYGDO-KNTRCKAVSA-N
XLogP4.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole
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3,3-dimethyl-2-[(E)-2-(3-methylphenyl)ethenyl]indole
CID 71739819
3,3-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]indole
CID 71739689
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CID 11241334
Benzenamine, 4-fluoro-N-(1-phenylethylidene)-
CID 11310403
5-Fluoro-2,3,3-trimethyl-3h-indole
CID 17028072
n-9h-Fluoren-9-ylidene-n-phenylamine oxide
CID 287128
2,3-Dimethyl-3-phenylindole
CID 345250
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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3,3-dimethyl-2H-inden-1-imine?
The IUPAC name of N-(3-fluorophenyl)-3,3-dimethyl-2H-inden-1-imine (CID 145427058) is N-(3-fluorophenyl)-3,3-dimethyl-2H-inden-1-imine.
What is the SMILES notation for N-(3-fluorophenyl)-3,3-dimethyl-2H-inden-1-imine?
The canonical SMILES for N-(3-fluorophenyl)-3,3-dimethyl-2H-inden-1-imine is CC1(C)C/C(=N\c2cccc(F)c2)c2ccccc21.
What is the InChIKey of N-(3-fluorophenyl)-3,3-dimethyl-2H-inden-1-imine?
The InChIKey is PXWANNWMRBYGDO-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H16FN/c1-17(2)11-16(14-8-3-4-9-15(14)17)19-13-7-5-6-12(18)10-13/h3-10H,11H2,1-2H3/b19-16+.
What are the key properties of N-(3-fluorophenyl)-3,3-dimethyl-2H-inden-1-imine?
N-(3-fluorophenyl)-3,3-dimethyl-2H-inden-1-imine has a molecular weight of 253.32 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3,3-dimethyl-2H-inden-1-imine is sourced from PubChem (CID 145427058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).