3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide

C7H12F3NO2 — CID 166470880

IUPAC3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOCCC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-11(5-7(8,9)10)6(12)3-4-13-2/h3-5H2,1-2H3
InChIKeyASINRRIQIQMRET-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.04
Rot. Bonds4

About 3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide

3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 166470880) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID166470880
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOCCC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-11(5-7(8,9)10)6(12)3-4-13-2/h3-5H2,1-2H3
InChIKeyASINRRIQIQMRET-UHFFFAOYSA-N
XLogP1.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 166470880) is 3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide is COCCC(=O)N(C)CC(F)(F)F.
What is the InChIKey of 3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ASINRRIQIQMRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-11(5-7(8,9)10)6(12)3-4-13-2/h3-5H2,1-2H3.
What are the key properties of 3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 199.17 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 166470880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).