4,7-difluoro-8-hydroxy-2,3-dihydrophenalen-1-one

C13H8F2O2 — CID 172843460

IUPAC4,7-difluoro-8-hydroxy-2,3-dihydrophenalen-1-one
SMILESO=C1CCc2c(F)ccc3c(F)c(O)cc1c23
InChIInChI=1S/C13H8F2O2/c14-9-3-1-7-12-6(9)2-4-10(16)8(12)5-11(17)13(7)15/h1,3,5,17H,2,4H2
InChIKeyXCJDNLCRGUHDMR-UHFFFAOYSA-N
MW234.20 g/mol
LogP2.95
Rot. Bonds

About 4,7-difluoro-8-hydroxy-2,3-dihydrophenalen-1-one

4,7-difluoro-8-hydroxy-2,3-dihydrophenalen-1-one (PubChem CID 172843460) has the molecular formula C13H8F2O2 and a molecular weight of 234.20 g/mol. Its IUPAC name is 4,7-difluoro-8-hydroxy-2,3-dihydrophenalen-1-one.

Molecular Properties

Compound Name4,7-difluoro-8-hydroxy-2,3-dihydrophenalen-1-one
PubChem CID172843460
Molecular FormulaC13H8F2O2
Molecular Weight234.20 g/mol
Exact Mass234.05
IUPAC Name4,7-difluoro-8-hydroxy-2,3-dihydrophenalen-1-one
SMILESO=C1CCc2c(F)ccc3c(F)c(O)cc1c23
InChIInChI=1S/C13H8F2O2/c14-9-3-1-7-12-6(9)2-4-10(16)8(12)5-11(17)13(7)15/h1,3,5,17H,2,4H2
InChIKeyXCJDNLCRGUHDMR-UHFFFAOYSA-N
XLogP2.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-8-hydroxy-2,3-dihydrophenalen-1-one
CID 172847715
6-chloro-3-fluoro-7-hydroxy-2H-acenaphthylen-1-one
CID 172860616
4,7-difluoro-6-hydroxy-2,3-dihydroinden-1-one
CID 55274579
5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one
CID 55271105
4-bromo-6-fluoro-5-sulfanyl-2,3-dihydroinden-1-one
CID 143203211
5-fluoro-4-(methoxymethyl)-2,3-dihydroinden-1-one
CID 125494608
4-(2,4-difluoro-5-methylphenyl)-2,3-dihydroinden-1-one
CID 114081142
1,3,5-trifluoronaphthalene-2,6-diol
CID 18457184
(1-oxo-2,3-dihydroinden-4-yl) 5-bromo-2-fluorobenzoate
CID 33151772
1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one
CID 129225328
7-bromo-5-fluoro-4-methoxy-2,3-dihydroinden-1-one
CID 138109935
4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one
CID 13193099

Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-8-hydroxy-2,3-dihydrophenalen-1-one?
The IUPAC name of 4,7-difluoro-8-hydroxy-2,3-dihydrophenalen-1-one (CID 172843460) is 4,7-difluoro-8-hydroxy-2,3-dihydrophenalen-1-one.
What is the SMILES notation for 4,7-difluoro-8-hydroxy-2,3-dihydrophenalen-1-one?
The canonical SMILES for 4,7-difluoro-8-hydroxy-2,3-dihydrophenalen-1-one is O=C1CCc2c(F)ccc3c(F)c(O)cc1c23.
What is the InChIKey of 4,7-difluoro-8-hydroxy-2,3-dihydrophenalen-1-one?
The InChIKey is XCJDNLCRGUHDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2O2/c14-9-3-1-7-12-6(9)2-4-10(16)8(12)5-11(17)13(7)15/h1,3,5,17H,2,4H2.
What are the key properties of 4,7-difluoro-8-hydroxy-2,3-dihydrophenalen-1-one?
4,7-difluoro-8-hydroxy-2,3-dihydrophenalen-1-one has a molecular weight of 234.20 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-8-hydroxy-2,3-dihydrophenalen-1-one is sourced from PubChem (CID 172843460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).