2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C10H17F3N2O3 — CID 113450181

IUPAC2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOC1(CNCC(=O)NCC(F)(F)F)CCOC1
InChIInChI=1S/C10H17F3N2O3/c1-17-9(2-3-18-7-9)5-14-4-8(16)15-6-10(11,12)13/h14H,2-7H2,1H3,(H,15,16)
InChIKeyLTEQUWBKWARFIH-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.06
Rot. Bonds6

About 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 113450181) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID113450181
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOC1(CNCC(=O)NCC(F)(F)F)CCOC1
InChIInChI=1S/C10H17F3N2O3/c1-17-9(2-3-18-7-9)5-14-4-8(16)15-6-10(11,12)13/h14H,2-7H2,1H3,(H,15,16)
InChIKeyLTEQUWBKWARFIH-UHFFFAOYSA-N
XLogP0.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 113450181) is 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is COC1(CNCC(=O)NCC(F)(F)F)CCOC1.
What is the InChIKey of 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LTEQUWBKWARFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-17-9(2-3-18-7-9)5-14-4-8(16)15-6-10(11,12)13/h14H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 270.25 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 113450181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).