N-(4-acetyl-3-methoxyphenyl)-2,2,2-trifluoroacetamide

C11H10F3NO3 — CID 20716375

IUPACN-(4-acetyl-3-methoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCOc1cc(NC(=O)C(F)(F)F)ccc1C(C)=O
InChIInChI=1S/C11H10F3NO3/c1-6(16)8-4-3-7(5-9(8)18-2)15-10(17)11(12,13)14/h3-5H,1-2H3,(H,15,17)
InChIKeyDNUPJIMGDXPZFD-UHFFFAOYSA-N
MW261.20 g/mol
LogP2.40
Rot. Bonds3

About N-(4-acetyl-3-methoxyphenyl)-2,2,2-trifluoroacetamide

N-(4-acetyl-3-methoxyphenyl)-2,2,2-trifluoroacetamide (PubChem CID 20716375) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is N-(4-acetyl-3-methoxyphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-acetyl-3-methoxyphenyl)-2,2,2-trifluoroacetamide
PubChem CID20716375
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC NameN-(4-acetyl-3-methoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCOc1cc(NC(=O)C(F)(F)F)ccc1C(C)=O
InChIInChI=1S/C11H10F3NO3/c1-6(16)8-4-3-7(5-9(8)18-2)15-10(17)11(12,13)14/h3-5H,1-2H3,(H,15,17)
InChIKeyDNUPJIMGDXPZFD-UHFFFAOYSA-N
XLogP2.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-methoxyphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-acetyl-3-methoxyphenyl)-2,2,2-trifluoroacetamide (CID 20716375) is N-(4-acetyl-3-methoxyphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-acetyl-3-methoxyphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-acetyl-3-methoxyphenyl)-2,2,2-trifluoroacetamide is COc1cc(NC(=O)C(F)(F)F)ccc1C(C)=O.
What is the InChIKey of N-(4-acetyl-3-methoxyphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is DNUPJIMGDXPZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3/c1-6(16)8-4-3-7(5-9(8)18-2)15-10(17)11(12,13)14/h3-5H,1-2H3,(H,15,17).
What are the key properties of N-(4-acetyl-3-methoxyphenyl)-2,2,2-trifluoroacetamide?
N-(4-acetyl-3-methoxyphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 261.20 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-methoxyphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 20716375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).