N-(3,4-dimethoxyphenyl)-2,2,2-trifluoro-N-methylacetamide

C11H12F3NO3 — CID 10659184

IUPACN-(3,4-dimethoxyphenyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)C(F)(F)F)cc1OC
InChIInChI=1S/C11H12F3NO3/c1-15(10(16)11(12,13)14)7-4-5-8(17-2)9(6-7)18-3/h4-6H,1-3H3
InChIKeyMECWZOIWOKCVSU-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.23
Rot. Bonds3

About N-(3,4-dimethoxyphenyl)-2,2,2-trifluoro-N-methylacetamide

N-(3,4-dimethoxyphenyl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 10659184) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID10659184
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC NameN-(3,4-dimethoxyphenyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)C(F)(F)F)cc1OC
InChIInChI=1S/C11H12F3NO3/c1-15(10(16)11(12,13)14)7-4-5-8(17-2)9(6-7)18-3/h4-6H,1-3H3
InChIKeyMECWZOIWOKCVSU-UHFFFAOYSA-N
XLogP2.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2,2,2-trifluoro-N-methylacetamide (CID 10659184) is N-(3,4-dimethoxyphenyl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2,2,2-trifluoro-N-methylacetamide is COc1ccc(N(C)C(=O)C(F)(F)F)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is MECWZOIWOKCVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-15(10(16)11(12,13)14)7-4-5-8(17-2)9(6-7)18-3/h4-6H,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-2,2,2-trifluoro-N-methylacetamide?
N-(3,4-dimethoxyphenyl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 263.21 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 10659184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).