2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide

C11H12F3NO2 — CID 115190160

IUPAC2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide
SMILESCOc1ccc(C)cc1N(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-7-4-5-9(17-3)8(6-7)15(2)10(16)11(12,13)14/h4-6H,1-3H3
InChIKeyRTEIIZMDZPFDET-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.53
Rot. Bonds2

About 2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide

2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide (PubChem CID 115190160) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide
PubChem CID115190160
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide
SMILESCOc1ccc(C)cc1N(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-7-4-5-9(17-3)8(6-7)15(2)10(16)11(12,13)14/h4-6H,1-3H3
InChIKeyRTEIIZMDZPFDET-UHFFFAOYSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide
CID 115190174
1-cyano-N-(2-methoxy-5-methylphenyl)-N-methylformamide
CID 115171963
N-(2-methoxy-5-methylphenyl)-N-methyl-2-(methylamino)acetamide
CID 82494481
3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide
CID 115162379
2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide
CID 115190193
N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide
CID 115190181
3-(2-methoxy-N,5-dimethylanilino)-2-(methylamino)-3-oxopropanoic acid
CID 115189358
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
3-amino-4-(2-methoxy-N,5-dimethylanilino)-4-oxobutanoic acid
CID 115181262
2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide
CID 115188555
2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid
CID 94690899
1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
CID 83822875

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide (CID 115190160) is 2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide is COc1ccc(C)cc1N(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide?
The InChIKey is RTEIIZMDZPFDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-7-4-5-9(17-3)8(6-7)15(2)10(16)11(12,13)14/h4-6H,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide?
2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide has a molecular weight of 247.22 g/mol, XLogP of 2.53, 2 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-methoxy-5-methylphenyl)-N-methylacetamide is sourced from PubChem (CID 115190160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).