7'-(3,5-difluorophenoxy)-2'-fluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one

C18H10F6O4S — CID 171619807

IUPAC7'-(3,5-difluorophenoxy)-2'-fluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one
SMILESO=C1c2c(Oc3cc(F)cc(F)c3)ccc(SC(F)(F)F)c2C2(OCCO2)C1F
InChIInChI=1S/C18H10F6O4S/c19-8-5-9(20)7-10(6-8)28-11-1-2-12(29-18(22,23)24)14-13(11)15(25)16(21)17(14)26-3-4-27-17/h1-2,5-7,16H,3-4H2
InChIKeyNSUGXHMXXZVUII-UHFFFAOYSA-N
MW436.33 g/mol
LogP5.10
Rot. Bonds3

About 7'-(3,5-difluorophenoxy)-2'-fluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one

7'-(3,5-difluorophenoxy)-2'-fluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one (PubChem CID 171619807) has the molecular formula C18H10F6O4S and a molecular weight of 436.33 g/mol. Its IUPAC name is 7'-(3,5-difluorophenoxy)-2'-fluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one.

Molecular Properties

Compound Name7'-(3,5-difluorophenoxy)-2'-fluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one
PubChem CID171619807
Molecular FormulaC18H10F6O4S
Molecular Weight436.33 g/mol
Exact Mass436.02
IUPAC Name7'-(3,5-difluorophenoxy)-2'-fluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one
SMILESO=C1c2c(Oc3cc(F)cc(F)c3)ccc(SC(F)(F)F)c2C2(OCCO2)C1F
InChIInChI=1S/C18H10F6O4S/c19-8-5-9(20)7-10(6-8)28-11-1-2-12(29-18(22,23)24)14-13(11)15(25)16(21)17(14)26-3-4-27-17/h1-2,5-7,16H,3-4H2
InChIKeyNSUGXHMXXZVUII-UHFFFAOYSA-N
XLogP5.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.33
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7'-(3,5-difluorophenoxy)-2'-fluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-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

(1'R)-7'-(3,5-difluorophenoxy)-1',2',2'-trifluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-1H-indene]
CID 171619850
3-fluoro-5-[6'-fluoro-5'-oxo-1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl]oxybenzonitrile
CID 122515057
2-acetyl-6-(3-cyano-5-fluorophenoxy)-3-(trifluoromethylsulfanyl)benzonitrile
CID 138638031
7'-bromo-2',2'-difluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-indene]-1'-one
CID 171619720
3-fluoro-5-[3-formyl-2-methyl-4-(trifluoromethylsulfanyl)phenoxy]benzonitrile
CID 138638131
(3S)-7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3-trifluoro-3H-1-benzothiophene 1-oxide
CID 166980657
3-chloro-7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2-difluoro-3H-inden-1-one
CID 166903847
4-bromo-5-(3,5-difluorophenoxy)-2-fluoro-1-benzothiophen-3-one
CID 118165097
7-(difluoromethyl)-6-(3,5-difluorophenoxy)-2,2,3-trifluoro-1,3-dihydroinden-1-ol
CID 162518141
(1S,3R)-6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3-trifluoro-3H-1-benzothiophene 1-oxide
CID 162780947
(1R,3R)-6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3-trifluoro-3H-1-benzothiophene 1-oxide
CID 151802879
3-fluoro-5-[[(3R)-2,2,3-trifluoro-1-oxo-7-(trifluoromethyl)-3H-1-benzothiophen-4-yl]oxy]benzonitrile
CID 166980827

Frequently Asked Questions

What is the IUPAC name of 7'-(3,5-difluorophenoxy)-2'-fluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one?
The IUPAC name of 7'-(3,5-difluorophenoxy)-2'-fluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one (CID 171619807) is 7'-(3,5-difluorophenoxy)-2'-fluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one.
What is the SMILES notation for 7'-(3,5-difluorophenoxy)-2'-fluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one?
The canonical SMILES for 7'-(3,5-difluorophenoxy)-2'-fluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one is O=C1c2c(Oc3cc(F)cc(F)c3)ccc(SC(F)(F)F)c2C2(OCCO2)C1F.
What is the InChIKey of 7'-(3,5-difluorophenoxy)-2'-fluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one?
The InChIKey is NSUGXHMXXZVUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6O4S/c19-8-5-9(20)7-10(6-8)28-11-1-2-12(29-18(22,23)24)14-13(11)15(25)16(21)17(14)26-3-4-27-17/h1-2,5-7,16H,3-4H2.
What are the key properties of 7'-(3,5-difluorophenoxy)-2'-fluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one?
7'-(3,5-difluorophenoxy)-2'-fluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one has a molecular weight of 436.33 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(3,5-difluorophenoxy)-2'-fluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one is sourced from PubChem (CID 171619807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).