4,7-difluoro-6-hydroxy-2,3-dihydroinden-1-one

C9H6F2O2 — CID 55274579

IUPAC4,7-difluoro-6-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(F)cc(O)c(F)c21
InChIInChI=1S/C9H6F2O2/c10-5-3-7(13)9(11)8-4(5)1-2-6(8)12/h3,13H,1-2H2
InChIKeySYIFOQQYVSHKFB-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.80
Rot. Bonds

About 4,7-difluoro-6-hydroxy-2,3-dihydroinden-1-one

4,7-difluoro-6-hydroxy-2,3-dihydroinden-1-one (PubChem CID 55274579) has the molecular formula C9H6F2O2 and a molecular weight of 184.14 g/mol. Its IUPAC name is 4,7-difluoro-6-hydroxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4,7-difluoro-6-hydroxy-2,3-dihydroinden-1-one
PubChem CID55274579
Molecular FormulaC9H6F2O2
Molecular Weight184.14 g/mol
Exact Mass184.03
IUPAC Name4,7-difluoro-6-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(F)cc(O)c(F)c21
InChIInChI=1S/C9H6F2O2/c10-5-3-7(13)9(11)8-4(5)1-2-6(8)12/h3,13H,1-2H2
InChIKeySYIFOQQYVSHKFB-UHFFFAOYSA-N
XLogP1.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-6-hydroxy-2,3-dihydroinden-1-one?
The IUPAC name of 4,7-difluoro-6-hydroxy-2,3-dihydroinden-1-one (CID 55274579) is 4,7-difluoro-6-hydroxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 4,7-difluoro-6-hydroxy-2,3-dihydroinden-1-one?
The canonical SMILES for 4,7-difluoro-6-hydroxy-2,3-dihydroinden-1-one is O=C1CCc2c(F)cc(O)c(F)c21.
What is the InChIKey of 4,7-difluoro-6-hydroxy-2,3-dihydroinden-1-one?
The InChIKey is SYIFOQQYVSHKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2O2/c10-5-3-7(13)9(11)8-4(5)1-2-6(8)12/h3,13H,1-2H2.
What are the key properties of 4,7-difluoro-6-hydroxy-2,3-dihydroinden-1-one?
4,7-difluoro-6-hydroxy-2,3-dihydroinden-1-one has a molecular weight of 184.14 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-6-hydroxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 55274579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).