3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole

C10H12FN — CID 59950841

IUPAC3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole
SMILESCCC1=CNC2C=CC(F)=CC12
InChIInChI=1S/C10H12FN/c1-2-7-6-12-10-4-3-8(11)5-9(7)10/h3-6,9-10,12H,2H2,1H3
InChIKeyWYNNYTPJIRBWHQ-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.29
Rot. Bonds1

About 3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole

3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole (PubChem CID 59950841) 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-1H-indole.

Molecular Properties

Compound Name3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole
PubChem CID59950841
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole
SMILESCCC1=CNC2C=CC(F)=CC12
InChIInChI=1S/C10H12FN/c1-2-7-6-12-10-4-3-8(11)5-9(7)10/h3-6,9-10,12H,2H2,1H3
InChIKeyWYNNYTPJIRBWHQ-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

Analyze 3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine
CID 70300942
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole
CID 70921115
(4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine
CID 118616262
6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole
CID 123866645
3-Fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine
CID 129194102
(E)-N-ethenyl-2-ethyl-5-[3-(2-fluoroethyl)cyclohexa-2,4-dien-1-yl]-3-methylidenehept-4-en-1-amine
CID 130285492
2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine
CID 134448196
[2-Ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine
CID 134581918
4-(4-ethylcyclohexa-1,5-dien-1-yl)-2-[(3Z)-2-fluorohexa-3,5-dien-3-yl]-2,5-dihydro-1H-pyrrole
CID 139314624
N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine
CID 141139585
4-methyl-N-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4-dienyl]cyclohex-2-en-1-amine
CID 144203473

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole?
The IUPAC name of 3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole (CID 59950841) is 3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole.
What is the SMILES notation for 3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole?
The canonical SMILES for 3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole is CCC1=CNC2C=CC(F)=CC12.
What is the InChIKey of 3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole?
The InChIKey is WYNNYTPJIRBWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-2-7-6-12-10-4-3-8(11)5-9(7)10/h3-6,9-10,12H,2H2,1H3.
What are the key properties of 3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole?
3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole 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 3-ethyl-5-fluoro-3a,7a-dihydro-1H-indole is sourced from PubChem (CID 59950841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).