2,2,2-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide

C9H16F3NO3 — CID 62728051

IUPAC2,2,2-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCN(CCOC)C(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-15-6-3-4-13(5-7-16-2)8(14)9(10,11)12/h3-7H2,1-2H3
InChIKeyNJFRSZCWQYHGNC-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.06
Rot. Bonds7

About 2,2,2-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide

2,2,2-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide (PubChem CID 62728051) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
PubChem CID62728051
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name2,2,2-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCN(CCOC)C(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-15-6-3-4-13(5-7-16-2)8(14)9(10,11)12/h3-7H2,1-2H3
InChIKeyNJFRSZCWQYHGNC-UHFFFAOYSA-N
XLogP1.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide (CID 62728051) is 2,2,2-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide is COCCCN(CCOC)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide?
The InChIKey is NJFRSZCWQYHGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-15-6-3-4-13(5-7-16-2)8(14)9(10,11)12/h3-7H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide?
2,2,2-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide has a molecular weight of 243.22 g/mol, XLogP of 1.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 62728051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).