2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)-N-(2,4,5-trimethylphenyl)acetamide

C13H11F6NO2 — CID 91742697

IUPAC2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)-N-(2,4,5-trimethylphenyl)acetamide
SMILESCc1cc(C)c(N(C(=O)C(F)(F)F)C(=O)C(F)(F)F)cc1C
InChIInChI=1S/C13H11F6NO2/c1-6-4-8(3)9(5-7(6)2)20(10(21)12(14,15)16)11(22)13(17,18)19/h4-5H,1-3H3
InChIKeyCVUIHGKRLVZCOX-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.60
Rot. Bonds1

About 2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)-N-(2,4,5-trimethylphenyl)acetamide

2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)-N-(2,4,5-trimethylphenyl)acetamide (PubChem CID 91742697) has the molecular formula C13H11F6NO2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)-N-(2,4,5-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)-N-(2,4,5-trimethylphenyl)acetamide
PubChem CID91742697
Molecular FormulaC13H11F6NO2
Molecular Weight327.22 g/mol
Exact Mass327.07
IUPAC Name2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)-N-(2,4,5-trimethylphenyl)acetamide
SMILESCc1cc(C)c(N(C(=O)C(F)(F)F)C(=O)C(F)(F)F)cc1C
InChIInChI=1S/C13H11F6NO2/c1-6-4-8(3)9(5-7(6)2)20(10(21)12(14,15)16)11(22)13(17,18)19/h4-5H,1-3H3
InChIKeyCVUIHGKRLVZCOX-UHFFFAOYSA-N
XLogP3.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)-N-(2,4,5-trimethylphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)-N-(2,4,5-trimethylphenyl)acetamide (CID 91742697) is 2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)-N-(2,4,5-trimethylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)-N-(2,4,5-trimethylphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)-N-(2,4,5-trimethylphenyl)acetamide is Cc1cc(C)c(N(C(=O)C(F)(F)F)C(=O)C(F)(F)F)cc1C.
What is the InChIKey of 2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)-N-(2,4,5-trimethylphenyl)acetamide?
The InChIKey is CVUIHGKRLVZCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F6NO2/c1-6-4-8(3)9(5-7(6)2)20(10(21)12(14,15)16)11(22)13(17,18)19/h4-5H,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)-N-(2,4,5-trimethylphenyl)acetamide?
2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)-N-(2,4,5-trimethylphenyl)acetamide has a molecular weight of 327.22 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)-N-(2,4,5-trimethylphenyl)acetamide is sourced from PubChem (CID 91742697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).