3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole

C10H12FN — CID 91299299

IUPAC3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole
SMILESCCC1C=NC2C=CC(F)=CC12
InChIInChI=1S/C10H12FN/c1-2-7-6-12-10-4-3-8(11)5-9(7)10/h3-7,9-10H,2H2,1H3
InChIKeyRPEFFAGGBGNCRW-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.51
Rot. Bonds1

About 3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole

3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole (PubChem CID 91299299) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole.

Molecular Properties

Compound Name3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole
PubChem CID91299299
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole
SMILESCCC1C=NC2C=CC(F)=CC12
InChIInChI=1S/C10H12FN/c1-2-7-6-12-10-4-3-8(11)5-9(7)10/h3-7,9-10H,2H2,1H3
InChIKeyRPEFFAGGBGNCRW-UHFFFAOYSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,3,3-Trimethyl-3a,7a-dihydroindole
CID 17797756
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
8-Azatricyclo[10.4.0.02,7]hexadeca-3,5,8,11,13,15-hexaene
CID 54068551
3,4,4a,8a-Tetrahydroquinoline
CID 54092524
4,5,5a,9a-tetrahydro-3H-1-benzazepine
CID 54378898
(8aS)-3,4,4a,8a-tetrahydroquinoline
CID 56628707
4,4a,4b,8a-tetrahydro-1H-pyrido[3,4-b]indole
CID 57046091
3a,6,7,7a-tetrahydro-1H-isoindole
CID 57114703
(8aR)-3,4,4a,8a-tetrahydroquinoline
CID 57135717
3a,7a-dihydro-3H-indole
CID 57316999
2-methyl-3,3a-dihydro-2H-indole
CID 57683757

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole?
The IUPAC name of 3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole (CID 91299299) is 3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole.
What is the SMILES notation for 3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole?
The canonical SMILES for 3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole is CCC1C=NC2C=CC(F)=CC12.
What is the InChIKey of 3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole?
The InChIKey is RPEFFAGGBGNCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-2-7-6-12-10-4-3-8(11)5-9(7)10/h3-7,9-10H,2H2,1H3.
What are the key properties of 3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole?
3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole has a molecular weight of 165.21 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole is sourced from PubChem (CID 91299299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).