5-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one

C10H9FO2 — CID 22451497

IUPAC5-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one
SMILESCC1CC(=O)c2c(O)cc(F)cc21
InChIInChI=1S/C10H9FO2/c1-5-2-8(12)10-7(5)3-6(11)4-9(10)13/h3-5,13H,2H2,1H3
InChIKeyVZBDOKXERIHZHJ-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.22
Rot. Bonds

About 5-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one

5-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one (PubChem CID 22451497) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 5-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one
PubChem CID22451497
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name5-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one
SMILESCC1CC(=O)c2c(O)cc(F)cc21
InChIInChI=1S/C10H9FO2/c1-5-2-8(12)10-7(5)3-6(11)4-9(10)13/h3-5,13H,2H2,1H3
InChIKeyVZBDOKXERIHZHJ-UHFFFAOYSA-N
XLogP2.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 5-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one (CID 22451497) is 5-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 5-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one is CC1CC(=O)c2c(O)cc(F)cc21.
What is the InChIKey of 5-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one?
The InChIKey is VZBDOKXERIHZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c1-5-2-8(12)10-7(5)3-6(11)4-9(10)13/h3-5,13H,2H2,1H3.
What are the key properties of 5-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one?
5-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one has a molecular weight of 180.18 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 22451497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).