N-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide

C10H10F3NO3 — CID 886009

IUPACN-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCOc1ccc(NC(=O)C(F)(F)F)cc1OC
InChIInChI=1S/C10H10F3NO3/c1-16-7-4-3-6(5-8(7)17-2)14-9(15)10(11,12)13/h3-5H,1-2H3,(H,14,15)
InChIKeyJKOXZCJQDBFWJU-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.20
Rot. Bonds3

About N-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide

N-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide (PubChem CID 886009) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide
PubChem CID886009
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC NameN-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCOc1ccc(NC(=O)C(F)(F)F)cc1OC
InChIInChI=1S/C10H10F3NO3/c1-16-7-4-3-6(5-8(7)17-2)14-9(15)10(11,12)13/h3-5H,1-2H3,(H,14,15)
InChIKeyJKOXZCJQDBFWJU-UHFFFAOYSA-N
XLogP2.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide (CID 886009) is N-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide is COc1ccc(NC(=O)C(F)(F)F)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is JKOXZCJQDBFWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-16-7-4-3-6(5-8(7)17-2)14-9(15)10(11,12)13/h3-5H,1-2H3,(H,14,15).
What are the key properties of N-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide?
N-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 249.19 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 886009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).