6-fluoro-3,3a,4,5-tetrahydro-2H-indole

C8H10FN — CID 123727030

IUPAC6-fluoro-3,3a,4,5-tetrahydro-2H-indole
SMILESFC1=CC2=NCCC2CC1
InChIInChI=1S/C8H10FN/c9-7-2-1-6-3-4-10-8(6)5-7/h5-6H,1-4H2
InChIKeyFXSUNQIDEYEKCG-UHFFFAOYSA-N
MW139.17 g/mol
LogP2.09
Rot. Bonds

About 6-fluoro-3,3a,4,5-tetrahydro-2H-indole

6-fluoro-3,3a,4,5-tetrahydro-2H-indole (PubChem CID 123727030) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 6-fluoro-3,3a,4,5-tetrahydro-2H-indole.

Molecular Properties

Compound Name6-fluoro-3,3a,4,5-tetrahydro-2H-indole
PubChem CID123727030
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name6-fluoro-3,3a,4,5-tetrahydro-2H-indole
SMILESFC1=CC2=NCCC2CC1
InChIInChI=1S/C8H10FN/c9-7-2-1-6-3-4-10-8(6)5-7/h5-6H,1-4H2
InChIKeyFXSUNQIDEYEKCG-UHFFFAOYSA-N
XLogP2.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-fluoro-3,3a,4,5-tetrahydro-2H-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

Fluorotetrahydrocyclopenta[c]quinoline
CID 129814042
3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine
CID 164669517
5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine
CID 143484812
3,3a,4,5-tetrahydro-2H-indole
CID 53636670
2-methyl-3,3a,4,5-tetrahydro-2H-indole
CID 53955660
3,3a,4,7-tetrahydro-2H-indole
CID 54297230
3,3a,6,7-tetrahydro-2H-indole
CID 57133551
2-methyl-3,3a-dihydro-2H-indole
CID 57683757
ethane;2-methyl-3,3a-dihydro-2H-indole
CID 91466382
5-Methyl-6-(2-methylprop-1-enyl)-2,3,4,5-tetrahydropyridine
CID 123216093
3-methyl-3,3a,4,5-tetrahydro-2H-indole
CID 123503203
(5Z)-4,6-dimethyl-5-propylidene-3,4-dihydro-2H-pyridine
CID 123637171

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,3a,4,5-tetrahydro-2H-indole?
The IUPAC name of 6-fluoro-3,3a,4,5-tetrahydro-2H-indole (CID 123727030) is 6-fluoro-3,3a,4,5-tetrahydro-2H-indole.
What is the SMILES notation for 6-fluoro-3,3a,4,5-tetrahydro-2H-indole?
The canonical SMILES for 6-fluoro-3,3a,4,5-tetrahydro-2H-indole is FC1=CC2=NCCC2CC1.
What is the InChIKey of 6-fluoro-3,3a,4,5-tetrahydro-2H-indole?
The InChIKey is FXSUNQIDEYEKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c9-7-2-1-6-3-4-10-8(6)5-7/h5-6H,1-4H2.
What are the key properties of 6-fluoro-3,3a,4,5-tetrahydro-2H-indole?
6-fluoro-3,3a,4,5-tetrahydro-2H-indole has a molecular weight of 139.17 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,3a,4,5-tetrahydro-2H-indole is sourced from PubChem (CID 123727030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).