4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C8H13F3N2O2 — CID 66265962

IUPAC4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-12-6-3-15-2-5(6)7(14)13-4-8(9,10)11/h5-6,12H,2-4H2,1H3,(H,13,14)
InChIKeyULABDUCNWYBMFZ-UHFFFAOYSA-N
MW226.20 g/mol
LogP-0.10
Rot. Bonds3

About 4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 66265962) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID66265962
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-12-6-3-15-2-5(6)7(14)13-4-8(9,10)11/h5-6,12H,2-4H2,1H3,(H,13,14)
InChIKeyULABDUCNWYBMFZ-UHFFFAOYSA-N
XLogP-0.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 66265962) is 4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CNC1COCC1C(=O)NCC(F)(F)F.
What is the InChIKey of 4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is ULABDUCNWYBMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-12-6-3-15-2-5(6)7(14)13-4-8(9,10)11/h5-6,12H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 226.20 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66265962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).