2-(4-acetyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C13H14F3NO4 — CID 2477471

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H14F3NO4/c1-8(18)9-3-4-10(11(5-9)20-2)21-6-12(19)17-7-13(14,15)16/h3-5H,6-7H2,1-2H3,(H,17,19)
InChIKeyFUWWBGJAKUAJSD-UHFFFAOYSA-N
MW305.25 g/mol
LogP1.96
Rot. Bonds6

About 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2477471) has the molecular formula C13H14F3NO4 and a molecular weight of 305.25 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2477471
Molecular FormulaC13H14F3NO4
Molecular Weight305.25 g/mol
Exact Mass305.09
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H14F3NO4/c1-8(18)9-3-4-10(11(5-9)20-2)21-6-12(19)17-7-13(14,15)16/h3-5H,6-7H2,1-2H3,(H,17,19)
InChIKeyFUWWBGJAKUAJSD-UHFFFAOYSA-N
XLogP1.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 2477471) is 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is COc1cc(C(C)=O)ccc1OCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FUWWBGJAKUAJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO4/c1-8(18)9-3-4-10(11(5-9)20-2)21-6-12(19)17-7-13(14,15)16/h3-5H,6-7H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 305.25 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2477471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).