6-fluoro-1-methyl-2,3,6,7-tetrahydroindole

C9H12FN — CID 89202987

IUPAC6-fluoro-1-methyl-2,3,6,7-tetrahydroindole
SMILESCN1CCC2=C1CC(F)C=C2
InChIInChI=1S/C9H12FN/c1-11-5-4-7-2-3-8(10)6-9(7)11/h2-3,8H,4-6H2,1H3
InChIKeyCKFVUIBYFTXQLE-UHFFFAOYSA-N
MW153.20 g/mol
LogP1.87
Rot. Bonds

About 6-fluoro-1-methyl-2,3,6,7-tetrahydroindole

6-fluoro-1-methyl-2,3,6,7-tetrahydroindole (PubChem CID 89202987) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 6-fluoro-1-methyl-2,3,6,7-tetrahydroindole.

Molecular Properties

Compound Name6-fluoro-1-methyl-2,3,6,7-tetrahydroindole
PubChem CID89202987
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name6-fluoro-1-methyl-2,3,6,7-tetrahydroindole
SMILESCN1CCC2=C1CC(F)C=C2
InChIInChI=1S/C9H12FN/c1-11-5-4-7-2-3-8(10)6-9(7)11/h2-3,8H,4-6H2,1H3
InChIKeyCKFVUIBYFTXQLE-UHFFFAOYSA-N
XLogP1.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-2,3,6,7-tetrahydroindole?
The IUPAC name of 6-fluoro-1-methyl-2,3,6,7-tetrahydroindole (CID 89202987) is 6-fluoro-1-methyl-2,3,6,7-tetrahydroindole.
What is the SMILES notation for 6-fluoro-1-methyl-2,3,6,7-tetrahydroindole?
The canonical SMILES for 6-fluoro-1-methyl-2,3,6,7-tetrahydroindole is CN1CCC2=C1CC(F)C=C2.
What is the InChIKey of 6-fluoro-1-methyl-2,3,6,7-tetrahydroindole?
The InChIKey is CKFVUIBYFTXQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-11-5-4-7-2-3-8(10)6-9(7)11/h2-3,8H,4-6H2,1H3.
What are the key properties of 6-fluoro-1-methyl-2,3,6,7-tetrahydroindole?
6-fluoro-1-methyl-2,3,6,7-tetrahydroindole has a molecular weight of 153.20 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-2,3,6,7-tetrahydroindole is sourced from PubChem (CID 89202987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).