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

C8H8FN — CID 167204296

IUPAC5-fluoro-7,7a-dihydro-1H-indole
SMILESFC1=CCC2NC=CC2=C1
InChIInChI=1S/C8H8FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1,3-5,8,10H,2H2
InChIKeyPRTRMKFJAZTNHX-UHFFFAOYSA-N
MW137.16 g/mol
LogP1.66
Rot. Bonds

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

5-fluoro-7,7a-dihydro-1H-indole (PubChem CID 167204296) has the molecular formula C8H8FN and a molecular weight of 137.16 g/mol. Its IUPAC name is 5-fluoro-7,7a-dihydro-1H-indole.

Molecular Properties

Compound Name5-fluoro-7,7a-dihydro-1H-indole
PubChem CID167204296
Molecular FormulaC8H8FN
Molecular Weight137.16 g/mol
Exact Mass137.06
IUPAC Name5-fluoro-7,7a-dihydro-1H-indole
SMILESFC1=CCC2NC=CC2=C1
InChIInChI=1S/C8H8FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1,3-5,8,10H,2H2
InChIKeyPRTRMKFJAZTNHX-UHFFFAOYSA-N
XLogP1.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-fluoro-7,7a-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

5,6-Dihydroindole
CID 57086633
3a,7a-dihydro-1H-indole
CID 20577477
5,6-Dihydrotryptamine
CID 67559680
Dihydro 5h cyclopenta[c]pyridine
CID 68168321
7,7a-Dihydroindole
CID 68201405
2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259
4-fluoro-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 68241956
2-[(Z)-1-fluorobut-1-enyl]-3a,7a-dihydro-1H-indole
CID 68403127
5-fluoro-2-methyl-2,4-dihydro-1H-indole
CID 89846202
1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine
CID 118882786
4-fluoro-5,6-dihydro-1H-indole
CID 123307377
7-fluoro-4-methyl-5,6-dihydro-1H-indole
CID 123444746

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7,7a-dihydro-1H-indole?
The IUPAC name of 5-fluoro-7,7a-dihydro-1H-indole (CID 167204296) is 5-fluoro-7,7a-dihydro-1H-indole.
What is the SMILES notation for 5-fluoro-7,7a-dihydro-1H-indole?
The canonical SMILES for 5-fluoro-7,7a-dihydro-1H-indole is FC1=CCC2NC=CC2=C1.
What is the InChIKey of 5-fluoro-7,7a-dihydro-1H-indole?
The InChIKey is PRTRMKFJAZTNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1,3-5,8,10H,2H2.
What are the key properties of 5-fluoro-7,7a-dihydro-1H-indole?
5-fluoro-7,7a-dihydro-1H-indole has a molecular weight of 137.16 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7,7a-dihydro-1H-indole is sourced from PubChem (CID 167204296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).