2-fluoro-3-propan-2-yloxyphenoxathiine 10,10-dioxide

C15H13FO4S — CID 10781106

IUPAC2-fluoro-3-propan-2-yloxyphenoxathiine 10,10-dioxide
SMILESCC(C)Oc1cc2c(cc1F)S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C15H13FO4S/c1-9(2)19-12-8-13-15(7-10(12)16)21(17,18)14-6-4-3-5-11(14)20-13/h3-9H,1-2H3
InChIKeySVZACTQBMHTFPV-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.55
Rot. Bonds2

About 2-fluoro-3-propan-2-yloxyphenoxathiine 10,10-dioxide

2-fluoro-3-propan-2-yloxyphenoxathiine 10,10-dioxide (PubChem CID 10781106) has the molecular formula C15H13FO4S and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-fluoro-3-propan-2-yloxyphenoxathiine 10,10-dioxide.

Molecular Properties

Compound Name2-fluoro-3-propan-2-yloxyphenoxathiine 10,10-dioxide
PubChem CID10781106
Molecular FormulaC15H13FO4S
Molecular Weight308.33 g/mol
Exact Mass308.05
IUPAC Name2-fluoro-3-propan-2-yloxyphenoxathiine 10,10-dioxide
SMILESCC(C)Oc1cc2c(cc1F)S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C15H13FO4S/c1-9(2)19-12-8-13-15(7-10(12)16)21(17,18)14-6-4-3-5-11(14)20-13/h3-9H,1-2H3
InChIKeySVZACTQBMHTFPV-UHFFFAOYSA-N
XLogP3.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Phenoxathiin, 10,10-dioxide
CID 70369
Cx-157
CID 18687754
1-Methoxyphenoxathiine 10,10-dioxide
CID 44307402
10,10-Dioxophenoxathiin-1-ol
CID 44307411
1-Ethoxyphenoxathiine 10,10-dioxide
CID 10564394
(10,10-Dioxophenoxathiin-1-yl) acetate
CID 10684898
2-(10,10-dioxophenoxathiin-1-yl)oxy-N,N-dimethylethanamine
CID 10687103
1-(Allyloxy)-4-((4-fluorophenyl)sulfonyl)benzene
CID 85744372
2-Fluoro-3-propan-2-yloxyphenoxathiine
CID 10754925
2-(2-Fluoro-7-propan-2-yloxyphenoxathiin-3-yl)sulfanyl-5-propan-2-yloxyphenol
CID 10575874
2,2-Difluoro-3-hydroxymethyl-7-methoxybenzo-1,4-oxathiane
CID 14917464
2-(4-Fluorophenyl)sulfanyl-1,3,5-trimethoxybenzene
CID 49780299

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-propan-2-yloxyphenoxathiine 10,10-dioxide?
The IUPAC name of 2-fluoro-3-propan-2-yloxyphenoxathiine 10,10-dioxide (CID 10781106) is 2-fluoro-3-propan-2-yloxyphenoxathiine 10,10-dioxide.
What is the SMILES notation for 2-fluoro-3-propan-2-yloxyphenoxathiine 10,10-dioxide?
The canonical SMILES for 2-fluoro-3-propan-2-yloxyphenoxathiine 10,10-dioxide is CC(C)Oc1cc2c(cc1F)S(=O)(=O)c1ccccc1O2.
What is the InChIKey of 2-fluoro-3-propan-2-yloxyphenoxathiine 10,10-dioxide?
The InChIKey is SVZACTQBMHTFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4S/c1-9(2)19-12-8-13-15(7-10(12)16)21(17,18)14-6-4-3-5-11(14)20-13/h3-9H,1-2H3.
What are the key properties of 2-fluoro-3-propan-2-yloxyphenoxathiine 10,10-dioxide?
2-fluoro-3-propan-2-yloxyphenoxathiine 10,10-dioxide has a molecular weight of 308.33 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-propan-2-yloxyphenoxathiine 10,10-dioxide is sourced from PubChem (CID 10781106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).