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

C9H7FO — CID 11029998

IUPAC2-fluoro-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1F
InChIInChI=1S/C9H7FO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8H,5H2
InChIKeyUUDYBRGMAFZKMY-UHFFFAOYSA-N
MW150.15 g/mol
LogP1.76
Rot. Bonds

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

2-fluoro-2,3-dihydroinden-1-one (PubChem CID 11029998) has the molecular formula C9H7FO and a molecular weight of 150.15 g/mol. Its IUPAC name is 2-fluoro-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-fluoro-2,3-dihydroinden-1-one
PubChem CID11029998
Molecular FormulaC9H7FO
Molecular Weight150.15 g/mol
Exact Mass150.05
IUPAC Name2-fluoro-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1F
InChIInChI=1S/C9H7FO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8H,5H2
InChIKeyUUDYBRGMAFZKMY-UHFFFAOYSA-N
XLogP1.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,3-dihydroinden-1-one?
The IUPAC name of 2-fluoro-2,3-dihydroinden-1-one (CID 11029998) is 2-fluoro-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-fluoro-2,3-dihydroinden-1-one?
The canonical SMILES for 2-fluoro-2,3-dihydroinden-1-one is O=C1c2ccccc2CC1F.
What is the InChIKey of 2-fluoro-2,3-dihydroinden-1-one?
The InChIKey is UUDYBRGMAFZKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8H,5H2.
What are the key properties of 2-fluoro-2,3-dihydroinden-1-one?
2-fluoro-2,3-dihydroinden-1-one has a molecular weight of 150.15 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,3-dihydroinden-1-one is sourced from PubChem (CID 11029998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).