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

C9H8F5NOS — CID 155231033

IUPAC5-(difluoromethyl)-4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole
SMILESCc1nc(SCCC(F)=C(F)F)oc1C(F)F
InChIInChI=1S/C9H8F5NOS/c1-4-6(8(13)14)16-9(15-4)17-3-2-5(10)7(11)12/h8H,2-3H2,1H3
InChIKeyYAXFZMGLVFFPNS-UHFFFAOYSA-N
MW273.23 g/mol
LogP4.48
Rot. Bonds5

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

5-(difluoromethyl)-4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole (PubChem CID 155231033) has the molecular formula C9H8F5NOS and a molecular weight of 273.23 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(difluoromethyl)-4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole
PubChem CID155231033
Molecular FormulaC9H8F5NOS
Molecular Weight273.23 g/mol
Exact Mass273.02
IUPAC Name5-(difluoromethyl)-4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole
SMILESCc1nc(SCCC(F)=C(F)F)oc1C(F)F
InChIInChI=1S/C9H8F5NOS/c1-4-6(8(13)14)16-9(15-4)17-3-2-5(10)7(11)12/h8H,2-3H2,1H3
InChIKeyYAXFZMGLVFFPNS-UHFFFAOYSA-N
XLogP4.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole?
The IUPAC name of 5-(difluoromethyl)-4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole (CID 155231033) is 5-(difluoromethyl)-4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 5-(difluoromethyl)-4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole?
The canonical SMILES for 5-(difluoromethyl)-4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole is Cc1nc(SCCC(F)=C(F)F)oc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole?
The InChIKey is YAXFZMGLVFFPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NOS/c1-4-6(8(13)14)16-9(15-4)17-3-2-5(10)7(11)12/h8H,2-3H2,1H3.
What are the key properties of 5-(difluoromethyl)-4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole?
5-(difluoromethyl)-4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole has a molecular weight of 273.23 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 155231033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).