2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate

C7H8F3N3O3 — CID 103744185

IUPAC2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate
SMILESO=C(NCCc1ncno1)OCC(F)(F)F
InChIInChI=1S/C7H8F3N3O3/c8-7(9,10)3-15-6(14)11-2-1-5-12-4-13-16-5/h4H,1-3H2,(H,11,14)
InChIKeyRNEVQXWORRODGD-UHFFFAOYSA-N
MW239.15 g/mol
LogP0.90
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate

2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate (PubChem CID 103744185) has the molecular formula C7H8F3N3O3 and a molecular weight of 239.15 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate
PubChem CID103744185
Molecular FormulaC7H8F3N3O3
Molecular Weight239.15 g/mol
Exact Mass239.05
IUPAC Name2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate
SMILESO=C(NCCc1ncno1)OCC(F)(F)F
InChIInChI=1S/C7H8F3N3O3/c8-7(9,10)3-15-6(14)11-2-1-5-12-4-13-16-5/h4H,1-3H2,(H,11,14)
InChIKeyRNEVQXWORRODGD-UHFFFAOYSA-N
XLogP0.90
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate (CID 103744185) is 2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate is O=C(NCCc1ncno1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate?
The InChIKey is RNEVQXWORRODGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O3/c8-7(9,10)3-15-6(14)11-2-1-5-12-4-13-16-5/h4H,1-3H2,(H,11,14).
What are the key properties of 2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate?
2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate has a molecular weight of 239.15 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 103744185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).