2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-oxazole

C7H6F3NO3S — CID 12993960

IUPAC2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-oxazole
SMILESO=S(=O)(CCC(F)=C(F)F)c1ncco1
InChIInChI=1S/C7H6F3NO3S/c8-5(6(9)10)1-4-15(12,13)7-11-2-3-14-7/h2-3H,1,4H2
InChIKeyJVZZPOFRNZDRGI-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.92
Rot. Bonds4

About 2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-oxazole

2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-oxazole (PubChem CID 12993960) has the molecular formula C7H6F3NO3S and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-oxazole
PubChem CID12993960
Molecular FormulaC7H6F3NO3S
Molecular Weight241.19 g/mol
Exact Mass241.00
IUPAC Name2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-oxazole
SMILESO=S(=O)(CCC(F)=C(F)F)c1ncco1
InChIInChI=1S/C7H6F3NO3S/c8-5(6(9)10)1-4-15(12,13)7-11-2-3-14-7/h2-3H,1,4H2
InChIKeyJVZZPOFRNZDRGI-UHFFFAOYSA-N
XLogP1.92
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-oxazole?
The IUPAC name of 2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-oxazole (CID 12993960) is 2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-oxazole.
What is the SMILES notation for 2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-oxazole?
The canonical SMILES for 2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-oxazole is O=S(=O)(CCC(F)=C(F)F)c1ncco1.
What is the InChIKey of 2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-oxazole?
The InChIKey is JVZZPOFRNZDRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3S/c8-5(6(9)10)1-4-15(12,13)7-11-2-3-14-7/h2-3H,1,4H2.
What are the key properties of 2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-oxazole?
2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-oxazole has a molecular weight of 241.19 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-oxazole is sourced from PubChem (CID 12993960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).