4-fluoro-5,6-dihydro-1H-indole

C8H8FN — CID 123307377

IUPAC4-fluoro-5,6-dihydro-1H-indole
SMILESFC1=c2cc[nH]c2=CCC1
InChIInChI=1S/C8H8FN/c9-7-2-1-3-8-6(7)4-5-10-8/h3-5,10H,1-2H2
InChIKeyFHGJYVMRYCUDTK-UHFFFAOYSA-N
MW137.16 g/mol
LogP0.67
Rot. Bonds

About 4-fluoro-5,6-dihydro-1H-indole

4-fluoro-5,6-dihydro-1H-indole (PubChem CID 123307377) has the molecular formula C8H8FN and a molecular weight of 137.16 g/mol. Its IUPAC name is 4-fluoro-5,6-dihydro-1H-indole.

Molecular Properties

Compound Name4-fluoro-5,6-dihydro-1H-indole
PubChem CID123307377
Molecular FormulaC8H8FN
Molecular Weight137.16 g/mol
Exact Mass137.06
IUPAC Name4-fluoro-5,6-dihydro-1H-indole
SMILESFC1=c2cc[nH]c2=CCC1
InChIInChI=1S/C8H8FN/c9-7-2-1-3-8-6(7)4-5-10-8/h3-5,10H,1-2H2
InChIKeyFHGJYVMRYCUDTK-UHFFFAOYSA-N
XLogP0.67
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5,6-dihydro-1H-indole?
The IUPAC name of 4-fluoro-5,6-dihydro-1H-indole (CID 123307377) is 4-fluoro-5,6-dihydro-1H-indole.
What is the SMILES notation for 4-fluoro-5,6-dihydro-1H-indole?
The canonical SMILES for 4-fluoro-5,6-dihydro-1H-indole is FC1=c2cc[nH]c2=CCC1.
What is the InChIKey of 4-fluoro-5,6-dihydro-1H-indole?
The InChIKey is FHGJYVMRYCUDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN/c9-7-2-1-3-8-6(7)4-5-10-8/h3-5,10H,1-2H2.
What are the key properties of 4-fluoro-5,6-dihydro-1H-indole?
4-fluoro-5,6-dihydro-1H-indole has a molecular weight of 137.16 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5,6-dihydro-1H-indole is sourced from PubChem (CID 123307377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).