5-methyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide

C8H12F3NO3 — CID 114826135

IUPAC5-methyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide
SMILESCC1CC(C(=O)NOCC(F)(F)F)CO1
InChIInChI=1S/C8H12F3NO3/c1-5-2-6(3-14-5)7(13)12-15-4-8(9,10)11/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeySYMOBYDQTFNVHR-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.02
Rot. Bonds3

About 5-methyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide

5-methyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide (PubChem CID 114826135) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 5-methyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide
PubChem CID114826135
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name5-methyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide
SMILESCC1CC(C(=O)NOCC(F)(F)F)CO1
InChIInChI=1S/C8H12F3NO3/c1-5-2-6(3-14-5)7(13)12-15-4-8(9,10)11/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeySYMOBYDQTFNVHR-UHFFFAOYSA-N
XLogP1.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide?
The IUPAC name of 5-methyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide (CID 114826135) is 5-methyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide is CC1CC(C(=O)NOCC(F)(F)F)CO1.
What is the InChIKey of 5-methyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide?
The InChIKey is SYMOBYDQTFNVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-5-2-6(3-14-5)7(13)12-15-4-8(9,10)11/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 5-methyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide?
5-methyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide has a molecular weight of 227.18 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide is sourced from PubChem (CID 114826135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).