5-fluoro-1H-isochromen-1-ol

C9H7FO2 — CID 91493717

IUPAC5-fluoro-1H-isochromen-1-ol
SMILESOC1OC=Cc2c(F)cccc21
InChIInChI=1S/C9H7FO2/c10-8-3-1-2-7-6(8)4-5-12-9(7)11/h1-5,9,11H
InChIKeyAWQQVFYPOUULAM-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.82
Rot. Bonds

About 5-fluoro-1H-isochromen-1-ol

5-fluoro-1H-isochromen-1-ol (PubChem CID 91493717) has the molecular formula C9H7FO2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 5-fluoro-1H-isochromen-1-ol.

Molecular Properties

Compound Name5-fluoro-1H-isochromen-1-ol
PubChem CID91493717
Molecular FormulaC9H7FO2
Molecular Weight166.15 g/mol
Exact Mass166.04
IUPAC Name5-fluoro-1H-isochromen-1-ol
SMILESOC1OC=Cc2c(F)cccc21
InChIInChI=1S/C9H7FO2/c10-8-3-1-2-7-6(8)4-5-12-9(7)11/h1-5,9,11H
InChIKeyAWQQVFYPOUULAM-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-isochromen-1-ol?
The IUPAC name of 5-fluoro-1H-isochromen-1-ol (CID 91493717) is 5-fluoro-1H-isochromen-1-ol.
What is the SMILES notation for 5-fluoro-1H-isochromen-1-ol?
The canonical SMILES for 5-fluoro-1H-isochromen-1-ol is OC1OC=Cc2c(F)cccc21.
What is the InChIKey of 5-fluoro-1H-isochromen-1-ol?
The InChIKey is AWQQVFYPOUULAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO2/c10-8-3-1-2-7-6(8)4-5-12-9(7)11/h1-5,9,11H.
What are the key properties of 5-fluoro-1H-isochromen-1-ol?
5-fluoro-1H-isochromen-1-ol has a molecular weight of 166.15 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-isochromen-1-ol is sourced from PubChem (CID 91493717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).