2-ethoxy-N-(3,3,3-trifluoropropyl)acetamide

C7H12F3NO2 — CID 64591908

IUPAC2-ethoxy-N-(3,3,3-trifluoropropyl)acetamide
SMILESCCOCC(=O)NCCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-2-13-5-6(12)11-4-3-7(8,9)10/h2-5H2,1H3,(H,11,12)
InChIKeyUQUNFGIPNXLGPQ-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.09
Rot. Bonds5

About 2-ethoxy-N-(3,3,3-trifluoropropyl)acetamide

2-ethoxy-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 64591908) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-ethoxy-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID64591908
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2-ethoxy-N-(3,3,3-trifluoropropyl)acetamide
SMILESCCOCC(=O)NCCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-2-13-5-6(12)11-4-3-7(8,9)10/h2-5H2,1H3,(H,11,12)
InChIKeyUQUNFGIPNXLGPQ-UHFFFAOYSA-N
XLogP1.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-ethoxy-N-(3,3,3-trifluoropropyl)acetamide (CID 64591908) is 2-ethoxy-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-ethoxy-N-(3,3,3-trifluoropropyl)acetamide is CCOCC(=O)NCCC(F)(F)F.
What is the InChIKey of 2-ethoxy-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is UQUNFGIPNXLGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-2-13-5-6(12)11-4-3-7(8,9)10/h2-5H2,1H3,(H,11,12).
What are the key properties of 2-ethoxy-N-(3,3,3-trifluoropropyl)acetamide?
2-ethoxy-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 199.17 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 64591908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).