5-(3,5-difluorophenoxy)-7,7-difluoro-1,1-dioxo-3,6-dihydro-2H-cyclopenta[g][1]benzothiol-8-one

C17H10F4O4S — CID 134254686

IUPAC5-(3,5-difluorophenoxy)-7,7-difluoro-1,1-dioxo-3,6-dihydro-2H-cyclopenta[g][1]benzothiol-8-one
SMILESO=C1c2c(c(Oc3cc(F)cc(F)c3)cc3c2S(=O)(=O)CC3)CC1(F)F
InChIInChI=1S/C17H10F4O4S/c18-9-4-10(19)6-11(5-9)25-13-3-8-1-2-26(23,24)15(8)14-12(13)7-17(20,21)16(14)22/h3-6H,1-2,7H2
InChIKeyKJUZZFNOAOUCEE-UHFFFAOYSA-N
MW386.32 g/mol
LogP3.46
Rot. Bonds2

About 5-(3,5-difluorophenoxy)-7,7-difluoro-1,1-dioxo-3,6-dihydro-2H-cyclopenta[g][1]benzothiol-8-one

5-(3,5-difluorophenoxy)-7,7-difluoro-1,1-dioxo-3,6-dihydro-2H-cyclopenta[g][1]benzothiol-8-one (PubChem CID 134254686) has the molecular formula C17H10F4O4S and a molecular weight of 386.32 g/mol. Its IUPAC name is 5-(3,5-difluorophenoxy)-7,7-difluoro-1,1-dioxo-3,6-dihydro-2H-cyclopenta[g][1]benzothiol-8-one.

Molecular Properties

Compound Name5-(3,5-difluorophenoxy)-7,7-difluoro-1,1-dioxo-3,6-dihydro-2H-cyclopenta[g][1]benzothiol-8-one
PubChem CID134254686
Molecular FormulaC17H10F4O4S
Molecular Weight386.32 g/mol
Exact Mass386.02
IUPAC Name5-(3,5-difluorophenoxy)-7,7-difluoro-1,1-dioxo-3,6-dihydro-2H-cyclopenta[g][1]benzothiol-8-one
SMILESO=C1c2c(c(Oc3cc(F)cc(F)c3)cc3c2S(=O)(=O)CC3)CC1(F)F
InChIInChI=1S/C17H10F4O4S/c18-9-4-10(19)6-11(5-9)25-13-3-8-1-2-26(23,24)15(8)14-12(13)7-17(20,21)16(14)22/h3-6H,1-2,7H2
InChIKeyKJUZZFNOAOUCEE-UHFFFAOYSA-N
XLogP3.46
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3,5-difluorophenoxy)-7,7-difluoro-1,1-dioxo-3,6-dihydro-2H-cyclopenta[g][1]benzothiol-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(difluoromethyl)-5-fluorophenoxy]-2,2-difluoro-7-methyl-3H-inden-1-one
CID 171619817
3-[(7-bromo-2,2-difluoro-1-oxo-3H-inden-4-yl)oxy]-5-fluorobenzonitrile
CID 134254567
3-[[2,2-difluoro-1-oxo-7-(trifluoromethylsulfonimidoyl)-3H-inden-4-yl]oxy]-5-fluorobenzonitrile
CID 122506373
3-[[(1S)-2,2-difluoro-1-methyl-7-methylsulfonyl-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile;3-[(2,2-difluoro-7-methylsulfonyl-1-oxo-3H-inden-4-yl)oxy]-5-fluorobenzonitrile
CID 161393268
[4-chloro-5-(3,5-difluorophenoxy)-2,2-difluoro-1-oxo-3H-1-benzothiophen-1-ylidene]cyanamide
CID 122541987
CID 156588551
CID 156588551
2-[(2,2-difluoro-7-methylsulfonyl-1-oxo-3H-inden-4-yl)oxy]-5-fluorobenzonitrile
CID 161477085
4-[(5-chloro-3-pyridinyl)oxy]-7-(difluoromethylsulfanyl)-2,2-difluoro-3H-inden-1-one
CID 138637702
3-chloro-7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2-difluoro-3H-inden-1-one
CID 166903847
3-[(1-bromo-7-oxo-5,6-dihydrocyclopenta[c]pyridin-4-yl)oxy]-5-fluorobenzonitrile
CID 156705570
3-[(4-bromo-2,2-difluoro-1,1-dioxo-3H-1-benzothiophen-5-yl)oxy]-5-fluorobenzonitrile
CID 122541914
(3R)-4-chloro-5-(3,5-difluorophenoxy)-2,2-difluoro-1-oxo-3H-1-benzothiophen-3-ol
CID 137417077

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenoxy)-7,7-difluoro-1,1-dioxo-3,6-dihydro-2H-cyclopenta[g][1]benzothiol-8-one?
The IUPAC name of 5-(3,5-difluorophenoxy)-7,7-difluoro-1,1-dioxo-3,6-dihydro-2H-cyclopenta[g][1]benzothiol-8-one (CID 134254686) is 5-(3,5-difluorophenoxy)-7,7-difluoro-1,1-dioxo-3,6-dihydro-2H-cyclopenta[g][1]benzothiol-8-one.
What is the SMILES notation for 5-(3,5-difluorophenoxy)-7,7-difluoro-1,1-dioxo-3,6-dihydro-2H-cyclopenta[g][1]benzothiol-8-one?
The canonical SMILES for 5-(3,5-difluorophenoxy)-7,7-difluoro-1,1-dioxo-3,6-dihydro-2H-cyclopenta[g][1]benzothiol-8-one is O=C1c2c(c(Oc3cc(F)cc(F)c3)cc3c2S(=O)(=O)CC3)CC1(F)F.
What is the InChIKey of 5-(3,5-difluorophenoxy)-7,7-difluoro-1,1-dioxo-3,6-dihydro-2H-cyclopenta[g][1]benzothiol-8-one?
The InChIKey is KJUZZFNOAOUCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4O4S/c18-9-4-10(19)6-11(5-9)25-13-3-8-1-2-26(23,24)15(8)14-12(13)7-17(20,21)16(14)22/h3-6H,1-2,7H2.
What are the key properties of 5-(3,5-difluorophenoxy)-7,7-difluoro-1,1-dioxo-3,6-dihydro-2H-cyclopenta[g][1]benzothiol-8-one?
5-(3,5-difluorophenoxy)-7,7-difluoro-1,1-dioxo-3,6-dihydro-2H-cyclopenta[g][1]benzothiol-8-one has a molecular weight of 386.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenoxy)-7,7-difluoro-1,1-dioxo-3,6-dihydro-2H-cyclopenta[g][1]benzothiol-8-one is sourced from PubChem (CID 134254686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).