5-fluoro-2,3,4,5-tetrahydro-1H-isoindole

C8H10FN — CID 123448216

IUPAC5-fluoro-2,3,4,5-tetrahydro-1H-isoindole
SMILESFC1C=CC2=C(CNC2)C1
InChIInChI=1S/C8H10FN/c9-8-2-1-6-4-10-5-7(6)3-8/h1-2,8,10H,3-5H2
InChIKeyIDTLNVKNBVSALZ-UHFFFAOYSA-N
MW139.17 g/mol
LogP1.18
Rot. Bonds

About 5-fluoro-2,3,4,5-tetrahydro-1H-isoindole

5-fluoro-2,3,4,5-tetrahydro-1H-isoindole (PubChem CID 123448216) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 5-fluoro-2,3,4,5-tetrahydro-1H-isoindole.

Molecular Properties

Compound Name5-fluoro-2,3,4,5-tetrahydro-1H-isoindole
PubChem CID123448216
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name5-fluoro-2,3,4,5-tetrahydro-1H-isoindole
SMILESFC1C=CC2=C(CNC2)C1
InChIInChI=1S/C8H10FN/c9-8-2-1-6-4-10-5-7(6)3-8/h1-2,8,10H,3-5H2
InChIKeyIDTLNVKNBVSALZ-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3,4,5-tetrahydro-1H-isoindole?
The IUPAC name of 5-fluoro-2,3,4,5-tetrahydro-1H-isoindole (CID 123448216) is 5-fluoro-2,3,4,5-tetrahydro-1H-isoindole.
What is the SMILES notation for 5-fluoro-2,3,4,5-tetrahydro-1H-isoindole?
The canonical SMILES for 5-fluoro-2,3,4,5-tetrahydro-1H-isoindole is FC1C=CC2=C(CNC2)C1.
What is the InChIKey of 5-fluoro-2,3,4,5-tetrahydro-1H-isoindole?
The InChIKey is IDTLNVKNBVSALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c9-8-2-1-6-4-10-5-7(6)3-8/h1-2,8,10H,3-5H2.
What are the key properties of 5-fluoro-2,3,4,5-tetrahydro-1H-isoindole?
5-fluoro-2,3,4,5-tetrahydro-1H-isoindole has a molecular weight of 139.17 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3,4,5-tetrahydro-1H-isoindole is sourced from PubChem (CID 123448216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).