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

C7H6F3NOS — CID 66953876

IUPAC2-(4,4,4-trifluorobut-1-enylsulfanyl)-1,3-oxazole
SMILESFC(F)(F)CC=CSc1ncco1
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)2-1-5-13-6-11-3-4-12-6/h1,3-5H,2H2
InChIKeyDRGKZDJOPMTVFD-UHFFFAOYSA-N
MW209.19 g/mol
LogP3.23
Rot. Bonds3

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

2-(4,4,4-trifluorobut-1-enylsulfanyl)-1,3-oxazole (PubChem CID 66953876) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobut-1-enylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4,4,4-trifluorobut-1-enylsulfanyl)-1,3-oxazole
PubChem CID66953876
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name2-(4,4,4-trifluorobut-1-enylsulfanyl)-1,3-oxazole
SMILESFC(F)(F)CC=CSc1ncco1
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)2-1-5-13-6-11-3-4-12-6/h1,3-5H,2H2
InChIKeyDRGKZDJOPMTVFD-UHFFFAOYSA-N
XLogP3.23
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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-butenylthio)oxazole
CID 12993958
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-(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
2-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
CID 106920780
2-(2-Bromo-3,3,3-trifluoropropyl)sulfanyl-1,3-oxazole
CID 106920968
3,3,3-Trifluoro-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106921809

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobut-1-enylsulfanyl)-1,3-oxazole?
The IUPAC name of 2-(4,4,4-trifluorobut-1-enylsulfanyl)-1,3-oxazole (CID 66953876) is 2-(4,4,4-trifluorobut-1-enylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 2-(4,4,4-trifluorobut-1-enylsulfanyl)-1,3-oxazole?
The canonical SMILES for 2-(4,4,4-trifluorobut-1-enylsulfanyl)-1,3-oxazole is FC(F)(F)CC=CSc1ncco1.
What is the InChIKey of 2-(4,4,4-trifluorobut-1-enylsulfanyl)-1,3-oxazole?
The InChIKey is DRGKZDJOPMTVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c8-7(9,10)2-1-5-13-6-11-3-4-12-6/h1,3-5H,2H2.
What are the key properties of 2-(4,4,4-trifluorobut-1-enylsulfanyl)-1,3-oxazole?
2-(4,4,4-trifluorobut-1-enylsulfanyl)-1,3-oxazole has a molecular weight of 209.19 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobut-1-enylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 66953876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).