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

C10H12FN — CID 163730223

IUPAC3a-ethyl-5-fluoro-1,7a-dihydroindole
SMILESCCC12C=CNC1C=CC(F)=C2
InChIInChI=1S/C10H12FN/c1-2-10-5-6-12-9(10)4-3-8(11)7-10/h3-7,9,12H,2H2,1H3
InChIKeyKYYRWKARMPSJPM-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.29
Rot. Bonds1

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

3a-ethyl-5-fluoro-1,7a-dihydroindole (PubChem CID 163730223) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 3a-ethyl-5-fluoro-1,7a-dihydroindole.

Molecular Properties

Compound Name3a-ethyl-5-fluoro-1,7a-dihydroindole
PubChem CID163730223
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name3a-ethyl-5-fluoro-1,7a-dihydroindole
SMILESCCC12C=CNC1C=CC(F)=C2
InChIInChI=1S/C10H12FN/c1-2-10-5-6-12-9(10)4-3-8(11)7-10/h3-7,9,12H,2H2,1H3
InChIKeyKYYRWKARMPSJPM-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3a-ethyl-5-fluoro-1,7a-dihydroindole?
The IUPAC name of 3a-ethyl-5-fluoro-1,7a-dihydroindole (CID 163730223) is 3a-ethyl-5-fluoro-1,7a-dihydroindole.
What is the SMILES notation for 3a-ethyl-5-fluoro-1,7a-dihydroindole?
The canonical SMILES for 3a-ethyl-5-fluoro-1,7a-dihydroindole is CCC12C=CNC1C=CC(F)=C2.
What is the InChIKey of 3a-ethyl-5-fluoro-1,7a-dihydroindole?
The InChIKey is KYYRWKARMPSJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-2-10-5-6-12-9(10)4-3-8(11)7-10/h3-7,9,12H,2H2,1H3.
What are the key properties of 3a-ethyl-5-fluoro-1,7a-dihydroindole?
3a-ethyl-5-fluoro-1,7a-dihydroindole has a molecular weight of 165.21 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-ethyl-5-fluoro-1,7a-dihydroindole is sourced from PubChem (CID 163730223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).