2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroacetyl)acetamide

C6H5F6NO3 — CID 91712836

IUPAC2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroacetyl)acetamide
SMILESO=C(N(CCO)C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F6NO3/c7-5(8,9)3(15)13(1-2-14)4(16)6(10,11)12/h14H,1-2H2
InChIKeyKICGSEUELUFIQQ-UHFFFAOYSA-N
MW253.10 g/mol
LogP0.46
Rot. Bonds2

About 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroacetyl)acetamide

2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroacetyl)acetamide (PubChem CID 91712836) has the molecular formula C6H5F6NO3 and a molecular weight of 253.10 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroacetyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroacetyl)acetamide
PubChem CID91712836
Molecular FormulaC6H5F6NO3
Molecular Weight253.10 g/mol
Exact Mass253.02
IUPAC Name2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroacetyl)acetamide
SMILESO=C(N(CCO)C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F6NO3/c7-5(8,9)3(15)13(1-2-14)4(16)6(10,11)12/h14H,1-2H2
InChIKeyKICGSEUELUFIQQ-UHFFFAOYSA-N
XLogP0.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroacetyl)acetamide 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 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroacetyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroacetyl)acetamide (CID 91712836) is 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroacetyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroacetyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroacetyl)acetamide is O=C(N(CCO)C(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroacetyl)acetamide?
The InChIKey is KICGSEUELUFIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F6NO3/c7-5(8,9)3(15)13(1-2-14)4(16)6(10,11)12/h14H,1-2H2.
What are the key properties of 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroacetyl)acetamide?
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroacetyl)acetamide has a molecular weight of 253.10 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroacetyl)acetamide is sourced from PubChem (CID 91712836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).