2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)-4-oxobutanamide

C8H11F4NO4 — CID 88583412

IUPAC2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)-4-oxobutanamide
SMILESO=CC(F)(F)C(F)(F)C(=O)N(CCO)CCO
InChIInChI=1S/C8H11F4NO4/c9-7(10,5-16)8(11,12)6(17)13(1-3-14)2-4-15/h5,14-15H,1-4H2
InChIKeyBWEAKYMCCJCJFB-UHFFFAOYSA-N
MW261.17 g/mol
LogP-0.73
Rot. Bonds7

About 2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)-4-oxobutanamide

2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)-4-oxobutanamide (PubChem CID 88583412) has the molecular formula C8H11F4NO4 and a molecular weight of 261.17 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)-4-oxobutanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)-4-oxobutanamide
PubChem CID88583412
Molecular FormulaC8H11F4NO4
Molecular Weight261.17 g/mol
Exact Mass261.06
IUPAC Name2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)-4-oxobutanamide
SMILESO=CC(F)(F)C(F)(F)C(=O)N(CCO)CCO
InChIInChI=1S/C8H11F4NO4/c9-7(10,5-16)8(11,12)6(17)13(1-3-14)2-4-15/h5,14-15H,1-4H2
InChIKeyBWEAKYMCCJCJFB-UHFFFAOYSA-N
XLogP-0.73
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)-4-oxobutanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)-4-oxobutanamide (CID 88583412) is 2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)-4-oxobutanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)-4-oxobutanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)-4-oxobutanamide is O=CC(F)(F)C(F)(F)C(=O)N(CCO)CCO.
What is the InChIKey of 2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)-4-oxobutanamide?
The InChIKey is BWEAKYMCCJCJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4NO4/c9-7(10,5-16)8(11,12)6(17)13(1-3-14)2-4-15/h5,14-15H,1-4H2.
What are the key properties of 2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)-4-oxobutanamide?
2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)-4-oxobutanamide has a molecular weight of 261.17 g/mol, XLogP of -0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)-4-oxobutanamide is sourced from PubChem (CID 88583412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).