2,4,5-trimethyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide

C10H16F3NO3 — CID 82721973

IUPAC2,4,5-trimethyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NOCC(F)(F)F)C1C
InChIInChI=1S/C10H16F3NO3/c1-5-6(2)17-7(3)8(5)9(15)14-16-4-10(11,12)13/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyJLZNYPZPQVQHFF-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.66
Rot. Bonds3

About 2,4,5-trimethyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide

2,4,5-trimethyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide (PubChem CID 82721973) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide
PubChem CID82721973
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2,4,5-trimethyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NOCC(F)(F)F)C1C
InChIInChI=1S/C10H16F3NO3/c1-5-6(2)17-7(3)8(5)9(15)14-16-4-10(11,12)13/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyJLZNYPZPQVQHFF-UHFFFAOYSA-N
XLogP1.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.66
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 2,4,5-trimethyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide (CID 82721973) is 2,4,5-trimethyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide is CC1OC(C)C(C(=O)NOCC(F)(F)F)C1C.
What is the InChIKey of 2,4,5-trimethyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide?
The InChIKey is JLZNYPZPQVQHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-5-6(2)17-7(3)8(5)9(15)14-16-4-10(11,12)13/h5-8H,4H2,1-3H3,(H,14,15).
What are the key properties of 2,4,5-trimethyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide?
2,4,5-trimethyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(2,2,2-trifluoroethoxy)oxolane-3-carboxamide is sourced from PubChem (CID 82721973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).