4-fluoro-2,3,5,7a-tetrahydro-1H-indole

C8H10FN — CID 118633833

IUPAC4-fluoro-2,3,5,7a-tetrahydro-1H-indole
SMILESFC1=C2CCNC2C=CC1
InChIInChI=1S/C8H10FN/c9-7-2-1-3-8-6(7)4-5-10-8/h1,3,8,10H,2,4-5H2
InChIKeyQJIVBCIVHAQPOS-UHFFFAOYSA-N
MW139.17 g/mol
LogP1.53
Rot. Bonds

About 4-fluoro-2,3,5,7a-tetrahydro-1H-indole

4-fluoro-2,3,5,7a-tetrahydro-1H-indole (PubChem CID 118633833) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 4-fluoro-2,3,5,7a-tetrahydro-1H-indole.

Molecular Properties

Compound Name4-fluoro-2,3,5,7a-tetrahydro-1H-indole
PubChem CID118633833
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name4-fluoro-2,3,5,7a-tetrahydro-1H-indole
SMILESFC1=C2CCNC2C=CC1
InChIInChI=1S/C8H10FN/c9-7-2-1-3-8-6(7)4-5-10-8/h1,3,8,10H,2,4-5H2
InChIKeyQJIVBCIVHAQPOS-UHFFFAOYSA-N
XLogP1.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3,5,7a-tetrahydro-1H-indole?
The IUPAC name of 4-fluoro-2,3,5,7a-tetrahydro-1H-indole (CID 118633833) is 4-fluoro-2,3,5,7a-tetrahydro-1H-indole.
What is the SMILES notation for 4-fluoro-2,3,5,7a-tetrahydro-1H-indole?
The canonical SMILES for 4-fluoro-2,3,5,7a-tetrahydro-1H-indole is FC1=C2CCNC2C=CC1.
What is the InChIKey of 4-fluoro-2,3,5,7a-tetrahydro-1H-indole?
The InChIKey is QJIVBCIVHAQPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c9-7-2-1-3-8-6(7)4-5-10-8/h1,3,8,10H,2,4-5H2.
What are the key properties of 4-fluoro-2,3,5,7a-tetrahydro-1H-indole?
4-fluoro-2,3,5,7a-tetrahydro-1H-indole has a molecular weight of 139.17 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3,5,7a-tetrahydro-1H-indole is sourced from PubChem (CID 118633833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).