4-fluoro-2H-isoindol-1-ol

C8H6FNO — CID 54413322

IUPAC4-fluoro-2H-isoindol-1-ol
SMILESOc1[nH]cc2c(F)cccc12
InChIInChI=1S/C8H6FNO/c9-7-3-1-2-5-6(7)4-10-8(5)11/h1-4,10-11H
InChIKeyVVRFHUFBWVARNO-UHFFFAOYSA-N
MW151.14 g/mol
LogP2.01
Rot. Bonds

About 4-fluoro-2H-isoindol-1-ol

4-fluoro-2H-isoindol-1-ol (PubChem CID 54413322) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 4-fluoro-2H-isoindol-1-ol.

Molecular Properties

Compound Name4-fluoro-2H-isoindol-1-ol
PubChem CID54413322
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name4-fluoro-2H-isoindol-1-ol
SMILESOc1[nH]cc2c(F)cccc12
InChIInChI=1S/C8H6FNO/c9-7-3-1-2-5-6(7)4-10-8(5)11/h1-4,10-11H
InChIKeyVVRFHUFBWVARNO-UHFFFAOYSA-N
XLogP2.01
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Isoindolol
CID 21225249
Isoindol-5-ol
CID 21560857
Dihydroxyisoindole
CID 53631839
Hydroxypyrrolo[3,4-c]pyridine
CID 53910923
1-methoxy-2H-isoindole
CID 91389894
2H-isoindol-1-yl bis(2,3,4,5,6-pentafluorophenyl) borate
CID 18400450
6-fluoro-2H-isoindol-1-ol
CID 54270389
2H-isoindol-1-yloxy-(2,3,4,5,6-pentafluorophenoxy)borinic acid
CID 88257609
6-Fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
CID 90705871
5-[2-(3,4-difluorophenyl)ethynyl]-2H-isoindol-1-ol
CID 90731778
2-[(4-Fluorophenyl)methyl]-7-iodoisoindol-1-ol
CID 90733817
7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-isoindol-1-ol
CID 90739493

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2H-isoindol-1-ol?
The IUPAC name of 4-fluoro-2H-isoindol-1-ol (CID 54413322) is 4-fluoro-2H-isoindol-1-ol.
What is the SMILES notation for 4-fluoro-2H-isoindol-1-ol?
The canonical SMILES for 4-fluoro-2H-isoindol-1-ol is Oc1[nH]cc2c(F)cccc12.
What is the InChIKey of 4-fluoro-2H-isoindol-1-ol?
The InChIKey is VVRFHUFBWVARNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO/c9-7-3-1-2-5-6(7)4-10-8(5)11/h1-4,10-11H.
What are the key properties of 4-fluoro-2H-isoindol-1-ol?
4-fluoro-2H-isoindol-1-ol has a molecular weight of 151.14 g/mol, XLogP of 2.01, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2H-isoindol-1-ol is sourced from PubChem (CID 54413322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).