5-fluoro-3-methyl-6,7-dihydroinden-1-imine

C10H10FN — CID 163805724

IUPAC5-fluoro-3-methyl-6,7-dihydroinden-1-imine
SMILES[H]/N=C1\C=C(C)C2=C1CCC(F)=C2
InChIInChI=1S/C10H10FN/c1-6-4-10(12)8-3-2-7(11)5-9(6)8/h4-5,12H,2-3H2,1H3/b12-10+
InChIKeyNIWCYXOGZCIJFS-ZRDIBKRKSA-N
MW163.19 g/mol
LogP2.91
Rot. Bonds

About 5-fluoro-3-methyl-6,7-dihydroinden-1-imine

5-fluoro-3-methyl-6,7-dihydroinden-1-imine (PubChem CID 163805724) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is 5-fluoro-3-methyl-6,7-dihydroinden-1-imine.

Molecular Properties

Compound Name5-fluoro-3-methyl-6,7-dihydroinden-1-imine
PubChem CID163805724
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name5-fluoro-3-methyl-6,7-dihydroinden-1-imine
SMILES[H]/N=C1\C=C(C)C2=C1CCC(F)=C2
InChIInChI=1S/C10H10FN/c1-6-4-10(12)8-3-2-7(11)5-9(6)8/h4-5,12H,2-3H2,1H3/b12-10+
InChIKeyNIWCYXOGZCIJFS-ZRDIBKRKSA-N
XLogP2.91
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 52.91
H-Bond Donors ≤ 51
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-fluoro-3-methyl-6,7-dihydroinden-1-imine?
The IUPAC name of 5-fluoro-3-methyl-6,7-dihydroinden-1-imine (CID 163805724) is 5-fluoro-3-methyl-6,7-dihydroinden-1-imine.
What is the SMILES notation for 5-fluoro-3-methyl-6,7-dihydroinden-1-imine?
The canonical SMILES for 5-fluoro-3-methyl-6,7-dihydroinden-1-imine is [H]/N=C1\C=C(C)C2=C1CCC(F)=C2.
What is the InChIKey of 5-fluoro-3-methyl-6,7-dihydroinden-1-imine?
The InChIKey is NIWCYXOGZCIJFS-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H10FN/c1-6-4-10(12)8-3-2-7(11)5-9(6)8/h4-5,12H,2-3H2,1H3/b12-10+.
What are the key properties of 5-fluoro-3-methyl-6,7-dihydroinden-1-imine?
5-fluoro-3-methyl-6,7-dihydroinden-1-imine has a molecular weight of 163.19 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-6,7-dihydroinden-1-imine is sourced from PubChem (CID 163805724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).