(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate

C20H19FO4S — CID 9380305

IUPAC(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
SMILESO=C(CSc1ccc2c(c1)CCC2)OCc1cc(F)cc2c1OCOC2
InChIInChI=1S/C20H19FO4S/c21-17-6-15-9-23-12-25-20(15)16(7-17)10-24-19(22)11-26-18-5-4-13-2-1-3-14(13)8-18/h4-8H,1-3,9-12H2
InChIKeyADXFJPCATUBJEK-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.02
Rot. Bonds5

About (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate

(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate (PubChem CID 9380305) has the molecular formula C20H19FO4S and a molecular weight of 374.43 g/mol. Its IUPAC name is (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate.

Molecular Properties

Compound Name(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
PubChem CID9380305
Molecular FormulaC20H19FO4S
Molecular Weight374.43 g/mol
Exact Mass374.10
IUPAC Name(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
SMILESO=C(CSc1ccc2c(c1)CCC2)OCc1cc(F)cc2c1OCOC2
InChIInChI=1S/C20H19FO4S/c21-17-6-15-9-23-12-25-20(15)16(7-17)10-24-19(22)11-26-18-5-4-13-2-1-3-14(13)8-18/h4-8H,1-3,9-12H2
InChIKeyADXFJPCATUBJEK-UHFFFAOYSA-N
XLogP4.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate with MolForge

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Launch Full Analysis

Related Compounds

(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 9478446
(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 18100305
(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate
CID 9476010
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2,3-dihydro-1H-indene-5-carboxylate
CID 9010418
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7647272
(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 9477254
(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 27028957
(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
CID 9475240
(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-amino-3-methylbenzoate
CID 18169718
[2-oxo-2-(propylamino)ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7596639
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone
CID 43232259
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate?
The IUPAC name of (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate (CID 9380305) is (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate.
What is the SMILES notation for (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate?
The canonical SMILES for (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate is O=C(CSc1ccc2c(c1)CCC2)OCc1cc(F)cc2c1OCOC2.
What is the InChIKey of (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate?
The InChIKey is ADXFJPCATUBJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FO4S/c21-17-6-15-9-23-12-25-20(15)16(7-17)10-24-19(22)11-26-18-5-4-13-2-1-3-14(13)8-18/h4-8H,1-3,9-12H2.
What are the key properties of (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate?
(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate has a molecular weight of 374.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate is sourced from PubChem (CID 9380305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).