N-ethyl-2,2,2-trifluoro-N-(2-oxoethyl)acetamide

C6H8F3NO2 — CID 150846310

IUPACN-ethyl-2,2,2-trifluoro-N-(2-oxoethyl)acetamide
SMILESCCN(CC=O)C(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c1-2-10(3-4-11)5(12)6(7,8)9/h4H,2-3H2,1H3
InChIKeyKPBNQURVBPTTDZ-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.60
Rot. Bonds3

About N-ethyl-2,2,2-trifluoro-N-(2-oxoethyl)acetamide

N-ethyl-2,2,2-trifluoro-N-(2-oxoethyl)acetamide (PubChem CID 150846310) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-(2-oxoethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-(2-oxoethyl)acetamide
PubChem CID150846310
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC NameN-ethyl-2,2,2-trifluoro-N-(2-oxoethyl)acetamide
SMILESCCN(CC=O)C(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c1-2-10(3-4-11)5(12)6(7,8)9/h4H,2-3H2,1H3
InChIKeyKPBNQURVBPTTDZ-UHFFFAOYSA-N
XLogP0.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-(2-oxoethyl)acetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-(2-oxoethyl)acetamide (CID 150846310) is N-ethyl-2,2,2-trifluoro-N-(2-oxoethyl)acetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-(2-oxoethyl)acetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-(2-oxoethyl)acetamide is CCN(CC=O)C(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-(2-oxoethyl)acetamide?
The InChIKey is KPBNQURVBPTTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c1-2-10(3-4-11)5(12)6(7,8)9/h4H,2-3H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-(2-oxoethyl)acetamide?
N-ethyl-2,2,2-trifluoro-N-(2-oxoethyl)acetamide has a molecular weight of 183.13 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-(2-oxoethyl)acetamide is sourced from PubChem (CID 150846310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).