2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole

C5H4F3NOS — CID 130618802

IUPAC2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole
SMILESFC(F)(F)CSc1ncco1
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)3-11-4-9-1-2-10-4/h1-2H,3H2
InChIKeyJOSCWKPRAONIJT-UHFFFAOYSA-N
MW183.15 g/mol
LogP2.33
Rot. Bonds2

About 2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole

2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole (PubChem CID 130618802) has the molecular formula C5H4F3NOS and a molecular weight of 183.15 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole
PubChem CID130618802
Molecular FormulaC5H4F3NOS
Molecular Weight183.15 g/mol
Exact Mass183.00
IUPAC Name2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole
SMILESFC(F)(F)CSc1ncco1
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)3-11-4-9-1-2-10-4/h1-2H,3H2
InChIKeyJOSCWKPRAONIJT-UHFFFAOYSA-N
XLogP2.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-Butylsulfanyl-1,3-oxazole
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CID 12993958
2-(3,4,4-Trifluoro-3-butenylsulfinyl)oxazole
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2-(3,4,4-Trifluorobut-3-enylsulfonyl)-1,3-oxazole
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2-(4,4-Difluorobut-3-enylsulfanyl)-1,3-oxazole
CID 21850358
3-(2,2,2-Trifluoroethyl)-1,3-oxazol-3-ium
CID 57680035
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
Fluoroform;1,3-oxazole
CID 161115791

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole (CID 130618802) is 2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole is FC(F)(F)CSc1ncco1.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole?
The InChIKey is JOSCWKPRAONIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NOS/c6-5(7,8)3-11-4-9-1-2-10-4/h1-2H,3H2.
What are the key properties of 2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole?
2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole has a molecular weight of 183.15 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 130618802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).