2,2,2-trifluoroethyl N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethyl]carbamate

C8H10F3N3O4 — CID 56785140

IUPAC2,2,2-trifluoroethyl N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethyl]carbamate
SMILESCc1noc(OCCNC(=O)OCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O4/c1-5-13-7(18-14-5)16-3-2-12-6(15)17-4-8(9,10)11/h2-4H2,1H3,(H,12,15)
InChIKeyBYDQIOGYFWJMCZ-UHFFFAOYSA-N
MW269.18 g/mol
LogP1.05
Rot. Bonds5

About 2,2,2-trifluoroethyl N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethyl]carbamate

2,2,2-trifluoroethyl N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethyl]carbamate (PubChem CID 56785140) has the molecular formula C8H10F3N3O4 and a molecular weight of 269.18 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethyl]carbamate
PubChem CID56785140
Molecular FormulaC8H10F3N3O4
Molecular Weight269.18 g/mol
Exact Mass269.06
IUPAC Name2,2,2-trifluoroethyl N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethyl]carbamate
SMILESCc1noc(OCCNC(=O)OCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O4/c1-5-13-7(18-14-5)16-3-2-12-6(15)17-4-8(9,10)11/h2-4H2,1H3,(H,12,15)
InChIKeyBYDQIOGYFWJMCZ-UHFFFAOYSA-N
XLogP1.05
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoroethyl N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethyl]carbamate (CID 56785140) is 2,2,2-trifluoroethyl N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethyl]carbamate is Cc1noc(OCCNC(=O)OCC(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethyl]carbamate?
The InChIKey is BYDQIOGYFWJMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O4/c1-5-13-7(18-14-5)16-3-2-12-6(15)17-4-8(9,10)11/h2-4H2,1H3,(H,12,15).
What are the key properties of 2,2,2-trifluoroethyl N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethyl]carbamate?
2,2,2-trifluoroethyl N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethyl]carbamate has a molecular weight of 269.18 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethyl]carbamate is sourced from PubChem (CID 56785140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).