5,6-difluoro-1,3-dihydroinden-2-one

C9H6F2O — CID 53408037

IUPAC5,6-difluoro-1,3-dihydroinden-2-one
SMILESO=C1Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C9H6F2O/c10-8-3-5-1-7(12)2-6(5)4-9(8)11/h3-4H,1-2H2
InChIKeyFPOCXYWEBBMGFD-UHFFFAOYSA-N
MW168.14 g/mol
LogP1.63
Rot. Bonds

About 5,6-difluoro-1,3-dihydroinden-2-one

5,6-difluoro-1,3-dihydroinden-2-one (PubChem CID 53408037) has the molecular formula C9H6F2O and a molecular weight of 168.14 g/mol. Its IUPAC name is 5,6-difluoro-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name5,6-difluoro-1,3-dihydroinden-2-one
PubChem CID53408037
Molecular FormulaC9H6F2O
Molecular Weight168.14 g/mol
Exact Mass168.04
IUPAC Name5,6-difluoro-1,3-dihydroinden-2-one
SMILESO=C1Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C9H6F2O/c10-8-3-5-1-7(12)2-6(5)4-9(8)11/h3-4H,1-2H2
InChIKeyFPOCXYWEBBMGFD-UHFFFAOYSA-N
XLogP1.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1,3-dihydroinden-2-one?
The IUPAC name of 5,6-difluoro-1,3-dihydroinden-2-one (CID 53408037) is 5,6-difluoro-1,3-dihydroinden-2-one.
What is the SMILES notation for 5,6-difluoro-1,3-dihydroinden-2-one?
The canonical SMILES for 5,6-difluoro-1,3-dihydroinden-2-one is O=C1Cc2cc(F)c(F)cc2C1.
What is the InChIKey of 5,6-difluoro-1,3-dihydroinden-2-one?
The InChIKey is FPOCXYWEBBMGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2O/c10-8-3-5-1-7(12)2-6(5)4-9(8)11/h3-4H,1-2H2.
What are the key properties of 5,6-difluoro-1,3-dihydroinden-2-one?
5,6-difluoro-1,3-dihydroinden-2-one has a molecular weight of 168.14 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1,3-dihydroinden-2-one is sourced from PubChem (CID 53408037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).