(2R)-7-fluoro-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxathiine

C10H11FO2S — CID 58740910

IUPAC(2R)-7-fluoro-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxathiine
SMILESCOC[C@@H]1CSc2ccc(F)cc2O1
InChIInChI=1S/C10H11FO2S/c1-12-5-8-6-14-10-3-2-7(11)4-9(10)13-8/h2-4,8H,5-6H2,1H3/t8-/m1/s1
InChIKeyXOKWKKLCXNFOAU-MRVPVSSYSA-N
MW214.26 g/mol
LogP2.33
Rot. Bonds2

About (2R)-7-fluoro-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxathiine

(2R)-7-fluoro-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxathiine (PubChem CID 58740910) has the molecular formula C10H11FO2S and a molecular weight of 214.26 g/mol. Its IUPAC name is (2R)-7-fluoro-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxathiine.

Molecular Properties

Compound Name(2R)-7-fluoro-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxathiine
PubChem CID58740910
Molecular FormulaC10H11FO2S
Molecular Weight214.26 g/mol
Exact Mass214.05
IUPAC Name(2R)-7-fluoro-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxathiine
SMILESCOC[C@@H]1CSc2ccc(F)cc2O1
InChIInChI=1S/C10H11FO2S/c1-12-5-8-6-14-10-3-2-7(11)4-9(10)13-8/h2-4,8H,5-6H2,1H3/t8-/m1/s1
InChIKeyXOKWKKLCXNFOAU-MRVPVSSYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-7-fluoro-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxathiine?
The IUPAC name of (2R)-7-fluoro-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxathiine (CID 58740910) is (2R)-7-fluoro-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxathiine.
What is the SMILES notation for (2R)-7-fluoro-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxathiine?
The canonical SMILES for (2R)-7-fluoro-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxathiine is COC[C@@H]1CSc2ccc(F)cc2O1.
What is the InChIKey of (2R)-7-fluoro-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxathiine?
The InChIKey is XOKWKKLCXNFOAU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11FO2S/c1-12-5-8-6-14-10-3-2-7(11)4-9(10)13-8/h2-4,8H,5-6H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-7-fluoro-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxathiine?
(2R)-7-fluoro-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxathiine has a molecular weight of 214.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-fluoro-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxathiine is sourced from PubChem (CID 58740910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).