1,2-oxazole;1,1,1-trifluoroethane

C5H6F3NO — CID 159581642

IUPAC1,2-oxazole;1,1,1-trifluoroethane
SMILESCC(F)(F)F.c1cnoc1
InChIInChI=1S/C3H3NO.C2H3F3/c1-2-4-5-3-1;1-2(3,4)5/h1-3H;1H3
InChIKeyMJBYNGILHYOALG-UHFFFAOYSA-N
MW153.10 g/mol
LogP2.24
Rot. Bonds

About 1,2-oxazole;1,1,1-trifluoroethane

1,2-oxazole;1,1,1-trifluoroethane (PubChem CID 159581642) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 1,2-oxazole;1,1,1-trifluoroethane.

Molecular Properties

Compound Name1,2-oxazole;1,1,1-trifluoroethane
PubChem CID159581642
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name1,2-oxazole;1,1,1-trifluoroethane
SMILESCC(F)(F)F.c1cnoc1
InChIInChI=1S/C3H3NO.C2H3F3/c1-2-4-5-3-1;1-2(3,4)5/h1-3H;1H3
InChIKeyMJBYNGILHYOALG-UHFFFAOYSA-N
XLogP2.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole;1,1,1-trifluoroethane?
The IUPAC name of 1,2-oxazole;1,1,1-trifluoroethane (CID 159581642) is 1,2-oxazole;1,1,1-trifluoroethane.
What is the SMILES notation for 1,2-oxazole;1,1,1-trifluoroethane?
The canonical SMILES for 1,2-oxazole;1,1,1-trifluoroethane is CC(F)(F)F.c1cnoc1.
What is the InChIKey of 1,2-oxazole;1,1,1-trifluoroethane?
The InChIKey is MJBYNGILHYOALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO.C2H3F3/c1-2-4-5-3-1;1-2(3,4)5/h1-3H;1H3.
What are the key properties of 1,2-oxazole;1,1,1-trifluoroethane?
1,2-oxazole;1,1,1-trifluoroethane has a molecular weight of 153.10 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;1,1,1-trifluoroethane is sourced from PubChem (CID 159581642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).