2,2,2-trifluoro-N-(4-formyl-3,5-dimethylphenyl)acetamide

C11H10F3NO2 — CID 86632821

IUPAC2,2,2-trifluoro-N-(4-formyl-3,5-dimethylphenyl)acetamide
SMILESCc1cc(NC(=O)C(F)(F)F)cc(C)c1C=O
InChIInChI=1S/C11H10F3NO2/c1-6-3-8(4-7(2)9(6)5-16)15-10(17)11(12,13)14/h3-5H,1-2H3,(H,15,17)
InChIKeyWOHWAQUBJIXUKF-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.62
Rot. Bonds2

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

2,2,2-trifluoro-N-(4-formyl-3,5-dimethylphenyl)acetamide (PubChem CID 86632821) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-formyl-3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-formyl-3,5-dimethylphenyl)acetamide
PubChem CID86632821
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name2,2,2-trifluoro-N-(4-formyl-3,5-dimethylphenyl)acetamide
SMILESCc1cc(NC(=O)C(F)(F)F)cc(C)c1C=O
InChIInChI=1S/C11H10F3NO2/c1-6-3-8(4-7(2)9(6)5-16)15-10(17)11(12,13)14/h3-5H,1-2H3,(H,15,17)
InChIKeyWOHWAQUBJIXUKF-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 885871
2-bromo-3,3,3-trifluoro-2-(trifluoromethyl)-N-(3,4,5-trimethylphenyl)propanamide
CID 71672512
N-(2-chloro-6-methyl-4-pyridinyl)-2,2,2-trifluoroacetamide
CID 170314603
[2-methyl-5-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl formate
CID 142404780
[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
CID 18543052
N-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide
CID 142053542
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide
CID 62735221
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 22905642
N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 145284883
2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-formyl-3,5-dimethylphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-formyl-3,5-dimethylphenyl)acetamide (CID 86632821) is 2,2,2-trifluoro-N-(4-formyl-3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-formyl-3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-formyl-3,5-dimethylphenyl)acetamide is Cc1cc(NC(=O)C(F)(F)F)cc(C)c1C=O.
What is the InChIKey of 2,2,2-trifluoro-N-(4-formyl-3,5-dimethylphenyl)acetamide?
The InChIKey is WOHWAQUBJIXUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-6-3-8(4-7(2)9(6)5-16)15-10(17)11(12,13)14/h3-5H,1-2H3,(H,15,17).
What are the key properties of 2,2,2-trifluoro-N-(4-formyl-3,5-dimethylphenyl)acetamide?
2,2,2-trifluoro-N-(4-formyl-3,5-dimethylphenyl)acetamide has a molecular weight of 245.20 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-formyl-3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 86632821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).