4-amino-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C8H13F3N2O2 — CID 66249612

IUPAC4-amino-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCC1(C(=O)NCC(F)(F)F)COCC1N
InChIInChI=1S/C8H13F3N2O2/c1-7(4-15-2-5(7)12)6(14)13-3-8(9,10)11/h5H,2-4,12H2,1H3,(H,13,14)
InChIKeyFMBHMPAGBCUMIT-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.03
Rot. Bonds2

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

4-amino-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 66249612) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID66249612
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name4-amino-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCC1(C(=O)NCC(F)(F)F)COCC1N
InChIInChI=1S/C8H13F3N2O2/c1-7(4-15-2-5(7)12)6(14)13-3-8(9,10)11/h5H,2-4,12H2,1H3,(H,13,14)
InChIKeyFMBHMPAGBCUMIT-UHFFFAOYSA-N
XLogP0.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 66249612) is 4-amino-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CC1(C(=O)NCC(F)(F)F)COCC1N.
What is the InChIKey of 4-amino-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is FMBHMPAGBCUMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-7(4-15-2-5(7)12)6(14)13-3-8(9,10)11/h5H,2-4,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
4-amino-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 226.20 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66249612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).