5-bromo-7-fluoro-N-methyl-2,3-dihydroinden-1-imine

C10H9BrFN — CID 165395942

IUPAC5-bromo-7-fluoro-N-methyl-2,3-dihydroinden-1-imine
SMILESC/N=C1\CCc2cc(Br)cc(F)c21
InChIInChI=1S/C10H9BrFN/c1-13-9-3-2-6-4-7(11)5-8(12)10(6)9/h4-5H,2-3H2,1H3/b13-9+
InChIKeyUMZWFJKGTQBEBT-UKTHLTGXSA-N
MW242.09 g/mol
LogP2.95
Rot. Bonds

About 5-bromo-7-fluoro-N-methyl-2,3-dihydroinden-1-imine

5-bromo-7-fluoro-N-methyl-2,3-dihydroinden-1-imine (PubChem CID 165395942) has the molecular formula C10H9BrFN and a molecular weight of 242.09 g/mol. Its IUPAC name is 5-bromo-7-fluoro-N-methyl-2,3-dihydroinden-1-imine.

Molecular Properties

Compound Name5-bromo-7-fluoro-N-methyl-2,3-dihydroinden-1-imine
PubChem CID165395942
Molecular FormulaC10H9BrFN
Molecular Weight242.09 g/mol
Exact Mass240.99
IUPAC Name5-bromo-7-fluoro-N-methyl-2,3-dihydroinden-1-imine
SMILESC/N=C1\CCc2cc(Br)cc(F)c21
InChIInChI=1S/C10H9BrFN/c1-13-9-3-2-6-4-7(11)5-8(12)10(6)9/h4-5H,2-3H2,1H3/b13-9+
InChIKeyUMZWFJKGTQBEBT-UKTHLTGXSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 52.95
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 5-bromo-7-fluoro-N-methyl-2,3-dihydroinden-1-imine?
The IUPAC name of 5-bromo-7-fluoro-N-methyl-2,3-dihydroinden-1-imine (CID 165395942) is 5-bromo-7-fluoro-N-methyl-2,3-dihydroinden-1-imine.
What is the SMILES notation for 5-bromo-7-fluoro-N-methyl-2,3-dihydroinden-1-imine?
The canonical SMILES for 5-bromo-7-fluoro-N-methyl-2,3-dihydroinden-1-imine is C/N=C1\CCc2cc(Br)cc(F)c21.
What is the InChIKey of 5-bromo-7-fluoro-N-methyl-2,3-dihydroinden-1-imine?
The InChIKey is UMZWFJKGTQBEBT-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H9BrFN/c1-13-9-3-2-6-4-7(11)5-8(12)10(6)9/h4-5H,2-3H2,1H3/b13-9+.
What are the key properties of 5-bromo-7-fluoro-N-methyl-2,3-dihydroinden-1-imine?
5-bromo-7-fluoro-N-methyl-2,3-dihydroinden-1-imine has a molecular weight of 242.09 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-fluoro-N-methyl-2,3-dihydroinden-1-imine is sourced from PubChem (CID 165395942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).