N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)acetamide

C7H10F3NO5S — CID 167083285

IUPACN-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)acetamide
SMILESCN(C(=O)COCC1CO1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO5S/c1-11(17(13,14)7(8,9)10)6(12)4-15-2-5-3-16-5/h5H,2-4H2,1H3
InChIKeyWCPFFRWYSISITF-UHFFFAOYSA-N
MW277.22 g/mol
LogP-0.29
Rot. Bonds5

About N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)acetamide

N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)acetamide (PubChem CID 167083285) has the molecular formula C7H10F3NO5S and a molecular weight of 277.22 g/mol. Its IUPAC name is N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)acetamide
PubChem CID167083285
Molecular FormulaC7H10F3NO5S
Molecular Weight277.22 g/mol
Exact Mass277.02
IUPAC NameN-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)acetamide
SMILESCN(C(=O)COCC1CO1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO5S/c1-11(17(13,14)7(8,9)10)6(12)4-15-2-5-3-16-5/h5H,2-4H2,1H3
InChIKeyWCPFFRWYSISITF-UHFFFAOYSA-N
XLogP-0.29
TPSA76.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)propanamide
CID 167083330
N-methyl-2-[(2-methyloxiran-2-yl)methoxy]-N-(trifluoromethylsulfonyl)acetamide
CID 167083374

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)acetamide?
The IUPAC name of N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)acetamide (CID 167083285) is N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)acetamide.
What is the SMILES notation for N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)acetamide?
The canonical SMILES for N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)acetamide is CN(C(=O)COCC1CO1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)acetamide?
The InChIKey is WCPFFRWYSISITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO5S/c1-11(17(13,14)7(8,9)10)6(12)4-15-2-5-3-16-5/h5H,2-4H2,1H3.
What are the key properties of N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)acetamide?
N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)acetamide has a molecular weight of 277.22 g/mol, XLogP of -0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)acetamide is sourced from PubChem (CID 167083285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).