2-fluoro-6-methyl-6,7-dihydro-5H-indole

C9H10FN — CID 152504750

IUPAC2-fluoro-6-methyl-6,7-dihydro-5H-indole
SMILESCC1CC=C2C=C(F)N=C2C1
InChIInChI=1S/C9H10FN/c1-6-2-3-7-5-9(10)11-8(7)4-6/h3,5-6H,2,4H2,1H3
InChIKeyYEFFXFSRBAJVSO-UHFFFAOYSA-N
MW151.18 g/mol
LogP2.61
Rot. Bonds

About 2-fluoro-6-methyl-6,7-dihydro-5H-indole

2-fluoro-6-methyl-6,7-dihydro-5H-indole (PubChem CID 152504750) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 2-fluoro-6-methyl-6,7-dihydro-5H-indole.

Molecular Properties

Compound Name2-fluoro-6-methyl-6,7-dihydro-5H-indole
PubChem CID152504750
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name2-fluoro-6-methyl-6,7-dihydro-5H-indole
SMILESCC1CC=C2C=C(F)N=C2C1
InChIInChI=1S/C9H10FN/c1-6-2-3-7-5-9(10)11-8(7)4-6/h3,5-6H,2,4H2,1H3
InChIKeyYEFFXFSRBAJVSO-UHFFFAOYSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-6,7-dihydro-5H-indole?
The IUPAC name of 2-fluoro-6-methyl-6,7-dihydro-5H-indole (CID 152504750) is 2-fluoro-6-methyl-6,7-dihydro-5H-indole.
What is the SMILES notation for 2-fluoro-6-methyl-6,7-dihydro-5H-indole?
The canonical SMILES for 2-fluoro-6-methyl-6,7-dihydro-5H-indole is CC1CC=C2C=C(F)N=C2C1.
What is the InChIKey of 2-fluoro-6-methyl-6,7-dihydro-5H-indole?
The InChIKey is YEFFXFSRBAJVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c1-6-2-3-7-5-9(10)11-8(7)4-6/h3,5-6H,2,4H2,1H3.
What are the key properties of 2-fluoro-6-methyl-6,7-dihydro-5H-indole?
2-fluoro-6-methyl-6,7-dihydro-5H-indole has a molecular weight of 151.18 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-6,7-dihydro-5H-indole is sourced from PubChem (CID 152504750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).