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

C9H10F3NOS — CID 155754142

IUPAC5-ethyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole
SMILESCCc1cnc(SCCC(F)=C(F)F)o1
InChIInChI=1S/C9H10F3NOS/c1-2-6-5-13-9(14-6)15-4-3-7(10)8(11)12/h5H,2-4H2,1H3
InChIKeySBNYILXVQFKCPK-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.80
Rot. Bonds5

About 5-ethyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole

5-ethyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole (PubChem CID 155754142) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 5-ethyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole
PubChem CID155754142
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name5-ethyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole
SMILESCCc1cnc(SCCC(F)=C(F)F)o1
InChIInChI=1S/C9H10F3NOS/c1-2-6-5-13-9(14-6)15-4-3-7(10)8(11)12/h5H,2-4H2,1H3
InChIKeySBNYILXVQFKCPK-UHFFFAOYSA-N
XLogP3.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole?
The IUPAC name of 5-ethyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole (CID 155754142) is 5-ethyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole?
The canonical SMILES for 5-ethyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole is CCc1cnc(SCCC(F)=C(F)F)o1.
What is the InChIKey of 5-ethyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole?
The InChIKey is SBNYILXVQFKCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-2-6-5-13-9(14-6)15-4-3-7(10)8(11)12/h5H,2-4H2,1H3.
What are the key properties of 5-ethyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole?
5-ethyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole has a molecular weight of 237.25 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 155754142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).