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

C7H6F3NOS — CID 12993958

IUPAC2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole
SMILESFC(F)=C(F)CCSc1ncco1
InChIInChI=1S/C7H6F3NOS/c8-5(6(9)10)1-4-13-7-11-2-3-12-7/h2-3H,1,4H2
InChIKeyXZEREPWWPUXMFI-UHFFFAOYSA-N
MW209.19 g/mol
LogP3.23
Rot. Bonds4

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

2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole (PubChem CID 12993958) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is 2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole
PubChem CID12993958
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole
SMILESFC(F)=C(F)CCSc1ncco1
InChIInChI=1S/C7H6F3NOS/c8-5(6(9)10)1-4-13-7-11-2-3-12-7/h2-3H,1,4H2
InChIKeyXZEREPWWPUXMFI-UHFFFAOYSA-N
XLogP3.23
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Oxazole, 2-(methylthio)-
CID 10931412
2-Butylsulfanyl-1,3-oxazole
CID 11171120
2-(3,4,4-Trifluoro-3-butenylsulfinyl)oxazole
CID 12993959
2-(3,4,4-Trifluorobut-3-enylsulfonyl)-1,3-oxazole
CID 12993960
2-(4,4-Difluorobut-3-enylsulfanyl)-1,3-oxazole
CID 21850358
2-(4,4,4-Trifluorobut-1-enylsulfanyl)-1,3-oxazole
CID 66953876
2-(Trifluoromethylsulfinyl)-1,3-oxazole
CID 90258746
2-(3,4,4-Trifluorobut-1-enylsulfinyl)-1,3-oxazole
CID 91101186
2-Butylsulfanyl-5-deuterio-1,3-oxazole
CID 134857604
Ethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate
CID 106920715
2,2-Difluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
CID 106920746
2-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
CID 106920780

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole?
The IUPAC name of 2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole (CID 12993958) is 2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole?
The canonical SMILES for 2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole is FC(F)=C(F)CCSc1ncco1.
What is the InChIKey of 2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole?
The InChIKey is XZEREPWWPUXMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c8-5(6(9)10)1-4-13-7-11-2-3-12-7/h2-3H,1,4H2.
What are the key properties of 2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole?
2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole has a molecular weight of 209.19 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 12993958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).