5-fluoro-3a-methyl-1,7a-dihydroindole

C9H10FN — CID 163436495

IUPAC5-fluoro-3a-methyl-1,7a-dihydroindole
SMILESCC12C=CNC1C=CC(F)=C2
InChIInChI=1S/C9H10FN/c1-9-4-5-11-8(9)3-2-7(10)6-9/h2-6,8,11H,1H3
InChIKeyAUYBUBSFPBZEML-UHFFFAOYSA-N
MW151.18 g/mol
LogP1.90
Rot. Bonds

About 5-fluoro-3a-methyl-1,7a-dihydroindole

5-fluoro-3a-methyl-1,7a-dihydroindole (PubChem CID 163436495) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 5-fluoro-3a-methyl-1,7a-dihydroindole.

Molecular Properties

Compound Name5-fluoro-3a-methyl-1,7a-dihydroindole
PubChem CID163436495
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name5-fluoro-3a-methyl-1,7a-dihydroindole
SMILESCC12C=CNC1C=CC(F)=C2
InChIInChI=1S/C9H10FN/c1-9-4-5-11-8(9)3-2-7(10)6-9/h2-6,8,11H,1H3
InChIKeyAUYBUBSFPBZEML-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3a-methyl-1,7a-dihydroindole?
The IUPAC name of 5-fluoro-3a-methyl-1,7a-dihydroindole (CID 163436495) is 5-fluoro-3a-methyl-1,7a-dihydroindole.
What is the SMILES notation for 5-fluoro-3a-methyl-1,7a-dihydroindole?
The canonical SMILES for 5-fluoro-3a-methyl-1,7a-dihydroindole is CC12C=CNC1C=CC(F)=C2.
What is the InChIKey of 5-fluoro-3a-methyl-1,7a-dihydroindole?
The InChIKey is AUYBUBSFPBZEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c1-9-4-5-11-8(9)3-2-7(10)6-9/h2-6,8,11H,1H3.
What are the key properties of 5-fluoro-3a-methyl-1,7a-dihydroindole?
5-fluoro-3a-methyl-1,7a-dihydroindole has a molecular weight of 151.18 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3a-methyl-1,7a-dihydroindole is sourced from PubChem (CID 163436495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).