4-fluoro-2,3-dihydro-1H-indol-7-ol

C8H8FNO — CID 84649719

IUPAC4-fluoro-2,3-dihydro-1H-indol-7-ol
SMILESOc1ccc(F)c2c1NCC2
InChIInChI=1S/C8H8FNO/c9-6-1-2-7(11)8-5(6)3-4-10-8/h1-2,10-11H,3-4H2
InChIKeyKIPNCCZWAIDFIL-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.50
Rot. Bonds

About 4-fluoro-2,3-dihydro-1H-indol-7-ol

4-fluoro-2,3-dihydro-1H-indol-7-ol (PubChem CID 84649719) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 4-fluoro-2,3-dihydro-1H-indol-7-ol.

Molecular Properties

Compound Name4-fluoro-2,3-dihydro-1H-indol-7-ol
PubChem CID84649719
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name4-fluoro-2,3-dihydro-1H-indol-7-ol
SMILESOc1ccc(F)c2c1NCC2
InChIInChI=1S/C8H8FNO/c9-6-1-2-7(11)8-5(6)3-4-10-8/h1-2,10-11H,3-4H2
InChIKeyKIPNCCZWAIDFIL-UHFFFAOYSA-N
XLogP1.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3-dihydro-1H-indol-7-ol?
The IUPAC name of 4-fluoro-2,3-dihydro-1H-indol-7-ol (CID 84649719) is 4-fluoro-2,3-dihydro-1H-indol-7-ol.
What is the SMILES notation for 4-fluoro-2,3-dihydro-1H-indol-7-ol?
The canonical SMILES for 4-fluoro-2,3-dihydro-1H-indol-7-ol is Oc1ccc(F)c2c1NCC2.
What is the InChIKey of 4-fluoro-2,3-dihydro-1H-indol-7-ol?
The InChIKey is KIPNCCZWAIDFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c9-6-1-2-7(11)8-5(6)3-4-10-8/h1-2,10-11H,3-4H2.
What are the key properties of 4-fluoro-2,3-dihydro-1H-indol-7-ol?
4-fluoro-2,3-dihydro-1H-indol-7-ol has a molecular weight of 153.16 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3-dihydro-1H-indol-7-ol is sourced from PubChem (CID 84649719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).