2,2,2-trifluoro-N-(3,4,5-trimethylphenyl)acetamide

C11H12F3NO — CID 21336242

IUPAC2,2,2-trifluoro-N-(3,4,5-trimethylphenyl)acetamide
SMILESCc1cc(NC(=O)C(F)(F)F)cc(C)c1C
InChIInChI=1S/C11H12F3NO/c1-6-4-9(5-7(2)8(6)3)15-10(16)11(12,13)14/h4-5H,1-3H3,(H,15,16)
InChIKeyFKUOOWWNLKMFBB-UHFFFAOYSA-N
MW231.22 g/mol
LogP3.11
Rot. Bonds1

About 2,2,2-trifluoro-N-(3,4,5-trimethylphenyl)acetamide

2,2,2-trifluoro-N-(3,4,5-trimethylphenyl)acetamide (PubChem CID 21336242) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3,4,5-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3,4,5-trimethylphenyl)acetamide
PubChem CID21336242
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2,2,2-trifluoro-N-(3,4,5-trimethylphenyl)acetamide
SMILESCc1cc(NC(=O)C(F)(F)F)cc(C)c1C
InChIInChI=1S/C11H12F3NO/c1-6-4-9(5-7(2)8(6)3)15-10(16)11(12,13)14/h4-5H,1-3H3,(H,15,16)
InChIKeyFKUOOWWNLKMFBB-UHFFFAOYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3,4,5-trimethylphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3,4,5-trimethylphenyl)acetamide (CID 21336242) is 2,2,2-trifluoro-N-(3,4,5-trimethylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3,4,5-trimethylphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3,4,5-trimethylphenyl)acetamide is Cc1cc(NC(=O)C(F)(F)F)cc(C)c1C.
What is the InChIKey of 2,2,2-trifluoro-N-(3,4,5-trimethylphenyl)acetamide?
The InChIKey is FKUOOWWNLKMFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-6-4-9(5-7(2)8(6)3)15-10(16)11(12,13)14/h4-5H,1-3H3,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-(3,4,5-trimethylphenyl)acetamide?
2,2,2-trifluoro-N-(3,4,5-trimethylphenyl)acetamide has a molecular weight of 231.22 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3,4,5-trimethylphenyl)acetamide is sourced from PubChem (CID 21336242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).