N-(3-ethoxy-2,2-dimethylpropyl)-2,2,2-trifluoroacetamide

C9H16F3NO2 — CID 130568454

IUPACN-(3-ethoxy-2,2-dimethylpropyl)-2,2,2-trifluoroacetamide
SMILESCCOCC(C)(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-4-15-6-8(2,3)5-13-7(14)9(10,11)12/h4-6H2,1-3H3,(H,13,14)
InChIKeyMTWULBGRLFBQLT-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.73
Rot. Bonds5

About N-(3-ethoxy-2,2-dimethylpropyl)-2,2,2-trifluoroacetamide

N-(3-ethoxy-2,2-dimethylpropyl)-2,2,2-trifluoroacetamide (PubChem CID 130568454) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylpropyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylpropyl)-2,2,2-trifluoroacetamide
PubChem CID130568454
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC NameN-(3-ethoxy-2,2-dimethylpropyl)-2,2,2-trifluoroacetamide
SMILESCCOCC(C)(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-4-15-6-8(2,3)5-13-7(14)9(10,11)12/h4-6H2,1-3H3,(H,13,14)
InChIKeyMTWULBGRLFBQLT-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 N-(3-ethoxy-2,2-dimethylpropyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-ethoxy-2,2-dimethylpropyl)-2,2,2-trifluoroacetamide (CID 130568454) is N-(3-ethoxy-2,2-dimethylpropyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylpropyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylpropyl)-2,2,2-trifluoroacetamide is CCOCC(C)(C)CNC(=O)C(F)(F)F.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylpropyl)-2,2,2-trifluoroacetamide?
The InChIKey is MTWULBGRLFBQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-4-15-6-8(2,3)5-13-7(14)9(10,11)12/h4-6H2,1-3H3,(H,13,14).
What are the key properties of N-(3-ethoxy-2,2-dimethylpropyl)-2,2,2-trifluoroacetamide?
N-(3-ethoxy-2,2-dimethylpropyl)-2,2,2-trifluoroacetamide 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 N-(3-ethoxy-2,2-dimethylpropyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 130568454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).