4-fluorosulfonyloxy-5-propan-2-yl-1,3-benzodioxole

C10H11FO5S — CID 151378928

IUPAC4-fluorosulfonyloxy-5-propan-2-yl-1,3-benzodioxole
SMILESCC(C)c1ccc2c(c1OS(=O)(=O)F)OCO2
InChIInChI=1S/C10H11FO5S/c1-6(2)7-3-4-8-10(15-5-14-8)9(7)16-17(11,12)13/h3-4,6H,5H2,1-2H3
InChIKeyORZOLBHWKGQGOD-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.13
Rot. Bonds3

About 4-fluorosulfonyloxy-5-propan-2-yl-1,3-benzodioxole

4-fluorosulfonyloxy-5-propan-2-yl-1,3-benzodioxole (PubChem CID 151378928) has the molecular formula C10H11FO5S and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-fluorosulfonyloxy-5-propan-2-yl-1,3-benzodioxole.

Molecular Properties

Compound Name4-fluorosulfonyloxy-5-propan-2-yl-1,3-benzodioxole
PubChem CID151378928
Molecular FormulaC10H11FO5S
Molecular Weight262.26 g/mol
Exact Mass262.03
IUPAC Name4-fluorosulfonyloxy-5-propan-2-yl-1,3-benzodioxole
SMILESCC(C)c1ccc2c(c1OS(=O)(=O)F)OCO2
InChIInChI=1S/C10H11FO5S/c1-6(2)7-3-4-8-10(15-5-14-8)9(7)16-17(11,12)13/h3-4,6H,5H2,1-2H3
InChIKeyORZOLBHWKGQGOD-UHFFFAOYSA-N
XLogP2.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-1-[(5-propan-2-yl-1,3-benzodioxol-4-yl)oxy]ethanamine
CID 151761887
5-propan-2-ylbenzo[g][1,3]benzodioxole
CID 20616814
2-(4-fluoro-1,3-benzodioxol-5-yl)propanoic acid
CID 117302567
2-(4-methoxy-1,3-benzodioxol-5-yl)ethanesulfonyl chloride
CID 84714862
1-(4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84657265
7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole
CID 153438844
5-[(1R)-1-aminoethyl]-1,3-benzodioxol-4-ol
CID 130739560
2-hydroxy-2-(4-methylsulfonyl-1,3-benzodioxol-5-yl)acetic acid
CID 117437922
1-(4-methylsulfonyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117396524
1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanamine
CID 117298689
N-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride
CID 154879529
ethyl 2-(4-fluoro-1,3-benzodioxol-5-yl)-2-hydroxyacetate
CID 117356992

Frequently Asked Questions

What is the IUPAC name of 4-fluorosulfonyloxy-5-propan-2-yl-1,3-benzodioxole?
The IUPAC name of 4-fluorosulfonyloxy-5-propan-2-yl-1,3-benzodioxole (CID 151378928) is 4-fluorosulfonyloxy-5-propan-2-yl-1,3-benzodioxole.
What is the SMILES notation for 4-fluorosulfonyloxy-5-propan-2-yl-1,3-benzodioxole?
The canonical SMILES for 4-fluorosulfonyloxy-5-propan-2-yl-1,3-benzodioxole is CC(C)c1ccc2c(c1OS(=O)(=O)F)OCO2.
What is the InChIKey of 4-fluorosulfonyloxy-5-propan-2-yl-1,3-benzodioxole?
The InChIKey is ORZOLBHWKGQGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO5S/c1-6(2)7-3-4-8-10(15-5-14-8)9(7)16-17(11,12)13/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-fluorosulfonyloxy-5-propan-2-yl-1,3-benzodioxole?
4-fluorosulfonyloxy-5-propan-2-yl-1,3-benzodioxole has a molecular weight of 262.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorosulfonyloxy-5-propan-2-yl-1,3-benzodioxole is sourced from PubChem (CID 151378928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).