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

C9H7FO2 — CID 141436604

IUPAC2-fluoro-7-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1c2c(O)cccc2CC1F
InChIInChI=1S/C9H7FO2/c10-6-4-5-2-1-3-7(11)8(5)9(6)12/h1-3,6,11H,4H2
InChIKeyDGSHJAIUKIIWSU-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.47
Rot. Bonds

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

2-fluoro-7-hydroxy-2,3-dihydroinden-1-one (PubChem CID 141436604) has the molecular formula C9H7FO2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 2-fluoro-7-hydroxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-fluoro-7-hydroxy-2,3-dihydroinden-1-one
PubChem CID141436604
Molecular FormulaC9H7FO2
Molecular Weight166.15 g/mol
Exact Mass166.04
IUPAC Name2-fluoro-7-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1c2c(O)cccc2CC1F
InChIInChI=1S/C9H7FO2/c10-6-4-5-2-1-3-7(11)8(5)9(6)12/h1-3,6,11H,4H2
InChIKeyDGSHJAIUKIIWSU-UHFFFAOYSA-N
XLogP1.47
TPSA37.30 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-hydroxy-2,3-dihydroinden-1-one?
The IUPAC name of 2-fluoro-7-hydroxy-2,3-dihydroinden-1-one (CID 141436604) is 2-fluoro-7-hydroxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-fluoro-7-hydroxy-2,3-dihydroinden-1-one?
The canonical SMILES for 2-fluoro-7-hydroxy-2,3-dihydroinden-1-one is O=C1c2c(O)cccc2CC1F.
What is the InChIKey of 2-fluoro-7-hydroxy-2,3-dihydroinden-1-one?
The InChIKey is DGSHJAIUKIIWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO2/c10-6-4-5-2-1-3-7(11)8(5)9(6)12/h1-3,6,11H,4H2.
What are the key properties of 2-fluoro-7-hydroxy-2,3-dihydroinden-1-one?
2-fluoro-7-hydroxy-2,3-dihydroinden-1-one has a molecular weight of 166.15 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-hydroxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 141436604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).