N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C10H17F3N2O3 — CID 104709176

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

About N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 104709176) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID104709176
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOC1(CNC(=O)CNCC(F)(F)F)CCOC1
InChIInChI=1S/C10H17F3N2O3/c1-17-9(2-3-18-7-9)5-15-8(16)4-14-6-10(11,12)13/h14H,2-7H2,1H3,(H,15,16)
InChIKeyKSJDROVDBKGLCU-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

Analyze N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 104709176) is N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is COC1(CNC(=O)CNCC(F)(F)F)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is KSJDROVDBKGLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-17-9(2-3-18-7-9)5-15-8(16)4-14-6-10(11,12)13/h14H,2-7H2,1H3,(H,15,16).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)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 N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 104709176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).