[(2R)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol

C10H11FO5S — CID 124563161

IUPAC[(2R)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol
SMILESCS(=O)(=O)c1cc(F)c2c(c1)O[C@H](CO)CO2
InChIInChI=1S/C10H11FO5S/c1-17(13,14)7-2-8(11)10-9(3-7)16-6(4-12)5-15-10/h2-3,6,12H,4-5H2,1H3/t6-/m1/s1
InChIKeyPHZVNKOZALOXOU-ZCFIWIBFSA-N
MW262.26 g/mol
LogP0.36
Rot. Bonds2

About [(2R)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol

[(2R)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol (PubChem CID 124563161) has the molecular formula C10H11FO5S and a molecular weight of 262.26 g/mol. Its IUPAC name is [(2R)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol
PubChem CID124563161
Molecular FormulaC10H11FO5S
Molecular Weight262.26 g/mol
Exact Mass262.03
IUPAC Name[(2R)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol
SMILESCS(=O)(=O)c1cc(F)c2c(c1)O[C@H](CO)CO2
InChIInChI=1S/C10H11FO5S/c1-17(13,14)7-2-8(11)10-9(3-7)16-6(4-12)5-15-10/h2-3,6,12H,4-5H2,1H3/t6-/m1/s1
InChIKeyPHZVNKOZALOXOU-ZCFIWIBFSA-N
XLogP0.36
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol?
The IUPAC name of [(2R)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol (CID 124563161) is [(2R)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol.
What is the SMILES notation for [(2R)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol?
The canonical SMILES for [(2R)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol is CS(=O)(=O)c1cc(F)c2c(c1)O[C@H](CO)CO2.
What is the InChIKey of [(2R)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol?
The InChIKey is PHZVNKOZALOXOU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11FO5S/c1-17(13,14)7-2-8(11)10-9(3-7)16-6(4-12)5-15-10/h2-3,6,12H,4-5H2,1H3/t6-/m1/s1.
What are the key properties of [(2R)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol?
[(2R)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol has a molecular weight of 262.26 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol is sourced from PubChem (CID 124563161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).