7-fluoro-6-hydroxy-2-prop-2-enyl-3H-isoindol-1-one

C11H10FNO2 — CID 123519958

IUPAC7-fluoro-6-hydroxy-2-prop-2-enyl-3H-isoindol-1-one
SMILESC=CCN1Cc2ccc(O)c(F)c2C1=O
InChIInChI=1S/C11H10FNO2/c1-2-5-13-6-7-3-4-8(14)10(12)9(7)11(13)15/h2-4,14H,1,5-6H2
InChIKeyCCDSUWPSXLBIIS-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.67
Rot. Bonds2

About 7-fluoro-6-hydroxy-2-prop-2-enyl-3H-isoindol-1-one

7-fluoro-6-hydroxy-2-prop-2-enyl-3H-isoindol-1-one (PubChem CID 123519958) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 7-fluoro-6-hydroxy-2-prop-2-enyl-3H-isoindol-1-one.

Molecular Properties

Compound Name7-fluoro-6-hydroxy-2-prop-2-enyl-3H-isoindol-1-one
PubChem CID123519958
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name7-fluoro-6-hydroxy-2-prop-2-enyl-3H-isoindol-1-one
SMILESC=CCN1Cc2ccc(O)c(F)c2C1=O
InChIInChI=1S/C11H10FNO2/c1-2-5-13-6-7-3-4-8(14)10(12)9(7)11(13)15/h2-4,14H,1,5-6H2
InChIKeyCCDSUWPSXLBIIS-UHFFFAOYSA-N
XLogP1.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-hydroxy-2-prop-2-enyl-3H-isoindol-1-one?
The IUPAC name of 7-fluoro-6-hydroxy-2-prop-2-enyl-3H-isoindol-1-one (CID 123519958) is 7-fluoro-6-hydroxy-2-prop-2-enyl-3H-isoindol-1-one.
What is the SMILES notation for 7-fluoro-6-hydroxy-2-prop-2-enyl-3H-isoindol-1-one?
The canonical SMILES for 7-fluoro-6-hydroxy-2-prop-2-enyl-3H-isoindol-1-one is C=CCN1Cc2ccc(O)c(F)c2C1=O.
What is the InChIKey of 7-fluoro-6-hydroxy-2-prop-2-enyl-3H-isoindol-1-one?
The InChIKey is CCDSUWPSXLBIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-2-5-13-6-7-3-4-8(14)10(12)9(7)11(13)15/h2-4,14H,1,5-6H2.
What are the key properties of 7-fluoro-6-hydroxy-2-prop-2-enyl-3H-isoindol-1-one?
7-fluoro-6-hydroxy-2-prop-2-enyl-3H-isoindol-1-one has a molecular weight of 207.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-hydroxy-2-prop-2-enyl-3H-isoindol-1-one is sourced from PubChem (CID 123519958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).