3-(2,2,2-trifluoroethylamino)oxolane-3-carboxamide

C7H11F3N2O2 — CID 63335623

IUPAC3-(2,2,2-trifluoroethylamino)oxolane-3-carboxamide
SMILESNC(=O)C1(NCC(F)(F)F)CCOC1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)3-12-6(5(11)13)1-2-14-4-6/h12H,1-4H2,(H2,11,13)
InChIKeyKAPLJQIVMDHOKD-UHFFFAOYSA-N
MW212.17 g/mol
LogP-0.22
Rot. Bonds3

About 3-(2,2,2-trifluoroethylamino)oxolane-3-carboxamide

3-(2,2,2-trifluoroethylamino)oxolane-3-carboxamide (PubChem CID 63335623) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylamino)oxolane-3-carboxamide
PubChem CID63335623
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name3-(2,2,2-trifluoroethylamino)oxolane-3-carboxamide
SMILESNC(=O)C1(NCC(F)(F)F)CCOC1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)3-12-6(5(11)13)1-2-14-4-6/h12H,1-4H2,(H2,11,13)
InChIKeyKAPLJQIVMDHOKD-UHFFFAOYSA-N
XLogP-0.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylamino)oxolane-3-carboxamide?
The IUPAC name of 3-(2,2,2-trifluoroethylamino)oxolane-3-carboxamide (CID 63335623) is 3-(2,2,2-trifluoroethylamino)oxolane-3-carboxamide.
What is the SMILES notation for 3-(2,2,2-trifluoroethylamino)oxolane-3-carboxamide?
The canonical SMILES for 3-(2,2,2-trifluoroethylamino)oxolane-3-carboxamide is NC(=O)C1(NCC(F)(F)F)CCOC1.
What is the InChIKey of 3-(2,2,2-trifluoroethylamino)oxolane-3-carboxamide?
The InChIKey is KAPLJQIVMDHOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)3-12-6(5(11)13)1-2-14-4-6/h12H,1-4H2,(H2,11,13).
What are the key properties of 3-(2,2,2-trifluoroethylamino)oxolane-3-carboxamide?
3-(2,2,2-trifluoroethylamino)oxolane-3-carboxamide has a molecular weight of 212.17 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 63335623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).