2-ethoxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

C9H16F3NO2 — CID 60778374

IUPAC2-ethoxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)COCC
InChIInChI=1S/C9H16F3NO2/c1-3-5-13(7-9(10,11)12)8(14)6-15-4-2/h3-7H2,1-2H3
InChIKeyBRWIHOPEMRRHTC-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.82
Rot. Bonds6

About 2-ethoxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

2-ethoxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60778374) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-ethoxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60778374
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-ethoxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)COCC
InChIInChI=1S/C9H16F3NO2/c1-3-5-13(7-9(10,11)12)8(14)6-15-4-2/h3-7H2,1-2H3
InChIKeyBRWIHOPEMRRHTC-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-ethoxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (CID 60778374) is 2-ethoxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-ethoxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-ethoxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is CCCN(CC(F)(F)F)C(=O)COCC.
What is the InChIKey of 2-ethoxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BRWIHOPEMRRHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-3-5-13(7-9(10,11)12)8(14)6-15-4-2/h3-7H2,1-2H3.
What are the key properties of 2-ethoxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
2-ethoxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 227.23 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60778374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).