2-fluoro-3-propan-2-yloxyphenoxathiine

C15H13FO2S — CID 10754925

IUPAC2-fluoro-3-propan-2-yloxyphenoxathiine
SMILESCC(C)Oc1cc2c(cc1F)Sc1ccccc1O2
InChIInChI=1S/C15H13FO2S/c1-9(2)17-12-8-13-15(7-10(12)16)19-14-6-4-3-5-11(14)18-13/h3-9H,1-2H3
InChIKeyNHNDEJKUNGDPCE-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.87
Rot. Bonds2

About 2-fluoro-3-propan-2-yloxyphenoxathiine

2-fluoro-3-propan-2-yloxyphenoxathiine (PubChem CID 10754925) has the molecular formula C15H13FO2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-fluoro-3-propan-2-yloxyphenoxathiine.

Molecular Properties

Compound Name2-fluoro-3-propan-2-yloxyphenoxathiine
PubChem CID10754925
Molecular FormulaC15H13FO2S
Molecular Weight276.33 g/mol
Exact Mass276.06
IUPAC Name2-fluoro-3-propan-2-yloxyphenoxathiine
SMILESCC(C)Oc1cc2c(cc1F)Sc1ccccc1O2
InChIInChI=1S/C15H13FO2S/c1-9(2)17-12-8-13-15(7-10(12)16)19-14-6-4-3-5-11(14)18-13/h3-9H,1-2H3
InChIKeyNHNDEJKUNGDPCE-UHFFFAOYSA-N
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-propan-2-yloxyphenoxathiine?
The IUPAC name of 2-fluoro-3-propan-2-yloxyphenoxathiine (CID 10754925) is 2-fluoro-3-propan-2-yloxyphenoxathiine.
What is the SMILES notation for 2-fluoro-3-propan-2-yloxyphenoxathiine?
The canonical SMILES for 2-fluoro-3-propan-2-yloxyphenoxathiine is CC(C)Oc1cc2c(cc1F)Sc1ccccc1O2.
What is the InChIKey of 2-fluoro-3-propan-2-yloxyphenoxathiine?
The InChIKey is NHNDEJKUNGDPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2S/c1-9(2)17-12-8-13-15(7-10(12)16)19-14-6-4-3-5-11(14)18-13/h3-9H,1-2H3.
What are the key properties of 2-fluoro-3-propan-2-yloxyphenoxathiine?
2-fluoro-3-propan-2-yloxyphenoxathiine has a molecular weight of 276.33 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-propan-2-yloxyphenoxathiine is sourced from PubChem (CID 10754925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).