5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-oxazole

C8H6F5NO2S — CID 150086952

IUPAC5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-oxazole
SMILESO=S(CCC(F)=C(F)F)c1ncc(C(F)F)o1
InChIInChI=1S/C8H6F5NO2S/c9-4(6(10)11)1-2-17(15)8-14-3-5(16-8)7(12)13/h3,7H,1-2H2
InChIKeyDSKUQEXUMARAPF-UHFFFAOYSA-N
MW275.20 g/mol
LogP3.19
Rot. Bonds5

About 5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-oxazole

5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-oxazole (PubChem CID 150086952) has the molecular formula C8H6F5NO2S and a molecular weight of 275.20 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-oxazole
PubChem CID150086952
Molecular FormulaC8H6F5NO2S
Molecular Weight275.20 g/mol
Exact Mass275.00
IUPAC Name5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-oxazole
SMILESO=S(CCC(F)=C(F)F)c1ncc(C(F)F)o1
InChIInChI=1S/C8H6F5NO2S/c9-4(6(10)11)1-2-17(15)8-14-3-5(16-8)7(12)13/h3,7H,1-2H2
InChIKeyDSKUQEXUMARAPF-UHFFFAOYSA-N
XLogP3.19
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-oxazole?
The IUPAC name of 5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-oxazole (CID 150086952) is 5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-oxazole.
What is the SMILES notation for 5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-oxazole?
The canonical SMILES for 5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-oxazole is O=S(CCC(F)=C(F)F)c1ncc(C(F)F)o1.
What is the InChIKey of 5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-oxazole?
The InChIKey is DSKUQEXUMARAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2S/c9-4(6(10)11)1-2-17(15)8-14-3-5(16-8)7(12)13/h3,7H,1-2H2.
What are the key properties of 5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-oxazole?
5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-oxazole has a molecular weight of 275.20 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-oxazole is sourced from PubChem (CID 150086952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).