2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide

C12H15F3N2O — CID 60688864

IUPAC2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cccc(C)c1NCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-8-4-3-5-9(2)11(8)16-6-10(18)17-7-12(13,14)15/h3-5,16H,6-7H2,1-2H3,(H,17,18)
InChIKeyJSLBFWKPWQVLOJ-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.39
Rot. Bonds4

About 2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide

2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60688864) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60688864
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cccc(C)c1NCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-8-4-3-5-9(2)11(8)16-6-10(18)17-7-12(13,14)15/h3-5,16H,6-7H2,1-2H3,(H,17,18)
InChIKeyJSLBFWKPWQVLOJ-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 113423474
2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60638136
2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 18105664
N-butyl-2-(2,6-dimethylanilino)acetamide
CID 54818393
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408
2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51072880
2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide
CID 71998712
2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47063875
2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60652978
2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 37176536
N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide
CID 108995266
2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646925

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide (CID 60688864) is 2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide is Cc1cccc(C)c1NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JSLBFWKPWQVLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8-4-3-5-9(2)11(8)16-6-10(18)17-7-12(13,14)15/h3-5,16H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 260.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60688864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).