6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole

C9H12FN — CID 123866645

IUPAC6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole
SMILESCC1CC2C=CC(F)=CC2N1
InChIInChI=1S/C9H12FN/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-3,5-7,9,11H,4H2,1H3
InChIKeyAZWRSCNKAWTTKV-UHFFFAOYSA-N
MW153.20 g/mol
LogP1.78
Rot. Bonds

About 6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole

6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole (PubChem CID 123866645) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole.

Molecular Properties

Compound Name6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole
PubChem CID123866645
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole
SMILESCC1CC2C=CC(F)=CC2N1
InChIInChI=1S/C9H12FN/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-3,5-7,9,11H,4H2,1H3
InChIKeyAZWRSCNKAWTTKV-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole?
The IUPAC name of 6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole (CID 123866645) is 6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole.
What is the SMILES notation for 6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole?
The canonical SMILES for 6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole is CC1CC2C=CC(F)=CC2N1.
What is the InChIKey of 6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole?
The InChIKey is AZWRSCNKAWTTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-3,5-7,9,11H,4H2,1H3.
What are the key properties of 6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole?
6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole has a molecular weight of 153.20 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole is sourced from PubChem (CID 123866645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).