N-(2-ethoxyethyl)-2,2,2-trifluoroacetamide

C6H10F3NO2 — CID 62492523

IUPACN-(2-ethoxyethyl)-2,2,2-trifluoroacetamide
SMILESCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-12-4-3-10-5(11)6(7,8)9/h2-4H2,1H3,(H,10,11)
InChIKeyFJCFSZXMANMICT-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.70
Rot. Bonds4

About N-(2-ethoxyethyl)-2,2,2-trifluoroacetamide

N-(2-ethoxyethyl)-2,2,2-trifluoroacetamide (PubChem CID 62492523) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2,2,2-trifluoroacetamide
PubChem CID62492523
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC NameN-(2-ethoxyethyl)-2,2,2-trifluoroacetamide
SMILESCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-12-4-3-10-5(11)6(7,8)9/h2-4H2,1H3,(H,10,11)
InChIKeyFJCFSZXMANMICT-UHFFFAOYSA-N
XLogP0.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(2-ethoxyethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-ethoxyethyl)-2,2,2-trifluoroacetamide (CID 62492523) is N-(2-ethoxyethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-ethoxyethyl)-2,2,2-trifluoroacetamide is CCOCCNC(=O)C(F)(F)F.
What is the InChIKey of N-(2-ethoxyethyl)-2,2,2-trifluoroacetamide?
The InChIKey is FJCFSZXMANMICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-2-12-4-3-10-5(11)6(7,8)9/h2-4H2,1H3,(H,10,11).
What are the key properties of N-(2-ethoxyethyl)-2,2,2-trifluoroacetamide?
N-(2-ethoxyethyl)-2,2,2-trifluoroacetamide has a molecular weight of 185.14 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62492523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).