5-fluoro-2-methyl-5,6-dihydro-1H-indole

C9H10FN — CID 123506170

IUPAC5-fluoro-2-methyl-5,6-dihydro-1H-indole
SMILESCc1cc2c([nH]1)=CCC(F)C=2
InChIInChI=1S/C9H10FN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h3-5,8,11H,2H2,1H3
InChIKeyVWHYIQHVIDNQQA-UHFFFAOYSA-N
MW151.18 g/mol
LogP0.63
Rot. Bonds

About 5-fluoro-2-methyl-5,6-dihydro-1H-indole

5-fluoro-2-methyl-5,6-dihydro-1H-indole (PubChem CID 123506170) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 5-fluoro-2-methyl-5,6-dihydro-1H-indole.

Molecular Properties

Compound Name5-fluoro-2-methyl-5,6-dihydro-1H-indole
PubChem CID123506170
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name5-fluoro-2-methyl-5,6-dihydro-1H-indole
SMILESCc1cc2c([nH]1)=CCC(F)C=2
InChIInChI=1S/C9H10FN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h3-5,8,11H,2H2,1H3
InChIKeyVWHYIQHVIDNQQA-UHFFFAOYSA-N
XLogP0.63
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-5,6-dihydro-1H-indole?
The IUPAC name of 5-fluoro-2-methyl-5,6-dihydro-1H-indole (CID 123506170) is 5-fluoro-2-methyl-5,6-dihydro-1H-indole.
What is the SMILES notation for 5-fluoro-2-methyl-5,6-dihydro-1H-indole?
The canonical SMILES for 5-fluoro-2-methyl-5,6-dihydro-1H-indole is Cc1cc2c([nH]1)=CCC(F)C=2.
What is the InChIKey of 5-fluoro-2-methyl-5,6-dihydro-1H-indole?
The InChIKey is VWHYIQHVIDNQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h3-5,8,11H,2H2,1H3.
What are the key properties of 5-fluoro-2-methyl-5,6-dihydro-1H-indole?
5-fluoro-2-methyl-5,6-dihydro-1H-indole has a molecular weight of 151.18 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-5,6-dihydro-1H-indole is sourced from PubChem (CID 123506170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).