N-(2-aminoethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C10H17F3N2O2 — CID 107493470

IUPACN-(2-aminoethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCC1CC(C(=O)N(CCN)CC(F)(F)F)CO1
InChIInChI=1S/C10H17F3N2O2/c1-7-4-8(5-17-7)9(16)15(3-2-14)6-10(11,12)13/h7-8H,2-6,14H2,1H3
InChIKeyFMXVOKOCHNURAD-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.76
Rot. Bonds4

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

N-(2-aminoethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 107493470) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID107493470
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-(2-aminoethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCC1CC(C(=O)N(CCN)CC(F)(F)F)CO1
InChIInChI=1S/C10H17F3N2O2/c1-7-4-8(5-17-7)9(16)15(3-2-14)6-10(11,12)13/h7-8H,2-6,14H2,1H3
InChIKeyFMXVOKOCHNURAD-UHFFFAOYSA-N
XLogP0.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 107493470) is N-(2-aminoethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CC1CC(C(=O)N(CCN)CC(F)(F)F)CO1.
What is the InChIKey of N-(2-aminoethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is FMXVOKOCHNURAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7-4-8(5-17-7)9(16)15(3-2-14)6-10(11,12)13/h7-8H,2-6,14H2,1H3.
What are the key properties of N-(2-aminoethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
N-(2-aminoethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 107493470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).