2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

C9H16F3NO2 — CID 60779660

IUPAC2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCC(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7(2)4-13(6-9(10,11)12)8(14)5-15-3/h7H,4-6H2,1-3H3
InChIKeyFNQNIWHOBPJGMR-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.68
Rot. Bonds5

About 2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60779660) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60779660
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCC(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7(2)4-13(6-9(10,11)12)8(14)5-15-3/h7H,4-6H2,1-3H3
InChIKeyFNQNIWHOBPJGMR-UHFFFAOYSA-N
XLogP1.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 60779660) is 2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is COCC(=O)N(CC(C)C)CC(F)(F)F.
What is the InChIKey of 2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FNQNIWHOBPJGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-7(2)4-13(6-9(10,11)12)8(14)5-15-3/h7H,4-6H2,1-3H3.
What are the key properties of 2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 227.23 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60779660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).