2,3-bis(trifluoromethyl)oxirane-2-carboxamide

C5H3F6NO2 — CID 89116575

IUPAC2,3-bis(trifluoromethyl)oxirane-2-carboxamide
SMILESNC(=O)C1(C(F)(F)F)OC1C(F)(F)F
InChIInChI=1S/C5H3F6NO2/c6-4(7,8)1-3(14-1,2(12)13)5(9,10)11/h1H,(H2,12,13)
InChIKeyFGXGBTGGTAPZOE-UHFFFAOYSA-N
MW223.07 g/mol
LogP0.73
Rot. Bonds1

About 2,3-bis(trifluoromethyl)oxirane-2-carboxamide

2,3-bis(trifluoromethyl)oxirane-2-carboxamide (PubChem CID 89116575) has the molecular formula C5H3F6NO2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 2,3-bis(trifluoromethyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name2,3-bis(trifluoromethyl)oxirane-2-carboxamide
PubChem CID89116575
Molecular FormulaC5H3F6NO2
Molecular Weight223.07 g/mol
Exact Mass223.01
IUPAC Name2,3-bis(trifluoromethyl)oxirane-2-carboxamide
SMILESNC(=O)C1(C(F)(F)F)OC1C(F)(F)F
InChIInChI=1S/C5H3F6NO2/c6-4(7,8)1-3(14-1,2(12)13)5(9,10)11/h1H,(H2,12,13)
InChIKeyFGXGBTGGTAPZOE-UHFFFAOYSA-N
XLogP0.73
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(trifluoromethyl)oxirane-2-carboxamide?
The IUPAC name of 2,3-bis(trifluoromethyl)oxirane-2-carboxamide (CID 89116575) is 2,3-bis(trifluoromethyl)oxirane-2-carboxamide.
What is the SMILES notation for 2,3-bis(trifluoromethyl)oxirane-2-carboxamide?
The canonical SMILES for 2,3-bis(trifluoromethyl)oxirane-2-carboxamide is NC(=O)C1(C(F)(F)F)OC1C(F)(F)F.
What is the InChIKey of 2,3-bis(trifluoromethyl)oxirane-2-carboxamide?
The InChIKey is FGXGBTGGTAPZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F6NO2/c6-4(7,8)1-3(14-1,2(12)13)5(9,10)11/h1H,(H2,12,13).
What are the key properties of 2,3-bis(trifluoromethyl)oxirane-2-carboxamide?
2,3-bis(trifluoromethyl)oxirane-2-carboxamide has a molecular weight of 223.07 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trifluoromethyl)oxirane-2-carboxamide is sourced from PubChem (CID 89116575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).