2,2,2-trifluoro-N-(4-methoxy-2,2-dimethylbutyl)acetamide

C9H16F3NO2 — CID 104625819

IUPAC2,2,2-trifluoro-N-(4-methoxy-2,2-dimethylbutyl)acetamide
SMILESCOCCC(C)(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-8(2,4-5-15-3)6-13-7(14)9(10,11)12/h4-6H2,1-3H3,(H,13,14)
InChIKeyGRQMGKCAETZZMC-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.73
Rot. Bonds5

About 2,2,2-trifluoro-N-(4-methoxy-2,2-dimethylbutyl)acetamide

2,2,2-trifluoro-N-(4-methoxy-2,2-dimethylbutyl)acetamide (PubChem CID 104625819) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methoxy-2,2-dimethylbutyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methoxy-2,2-dimethylbutyl)acetamide
PubChem CID104625819
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2,2,2-trifluoro-N-(4-methoxy-2,2-dimethylbutyl)acetamide
SMILESCOCCC(C)(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-8(2,4-5-15-3)6-13-7(14)9(10,11)12/h4-6H2,1-3H3,(H,13,14)
InChIKeyGRQMGKCAETZZMC-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-methoxy-2,2-dimethylbutyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-methoxy-2,2-dimethylbutyl)acetamide (CID 104625819) is 2,2,2-trifluoro-N-(4-methoxy-2,2-dimethylbutyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methoxy-2,2-dimethylbutyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methoxy-2,2-dimethylbutyl)acetamide is COCCC(C)(C)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methoxy-2,2-dimethylbutyl)acetamide?
The InChIKey is GRQMGKCAETZZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-8(2,4-5-15-3)6-13-7(14)9(10,11)12/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-(4-methoxy-2,2-dimethylbutyl)acetamide?
2,2,2-trifluoro-N-(4-methoxy-2,2-dimethylbutyl)acetamide has a molecular weight of 227.23 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methoxy-2,2-dimethylbutyl)acetamide is sourced from PubChem (CID 104625819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).