3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide

C10H18F3NO2 — CID 78846849

IUPAC3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-9(2,3)6-8(15)14-4-5-16-7-10(11,12)13/h4-7H2,1-3H3,(H,14,15)
InChIKeyLIWGHQGGXSWUHE-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.12
Rot. Bonds5

About 3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide

3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide (PubChem CID 78846849) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
PubChem CID78846849
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-9(2,3)6-8(15)14-4-5-16-7-10(11,12)13/h4-7H2,1-3H3,(H,14,15)
InChIKeyLIWGHQGGXSWUHE-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide (CID 78846849) is 3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide is CC(C)(C)CC(=O)NCCOCC(F)(F)F.
What is the InChIKey of 3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide?
The InChIKey is LIWGHQGGXSWUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-9(2,3)6-8(15)14-4-5-16-7-10(11,12)13/h4-7H2,1-3H3,(H,14,15).
What are the key properties of 3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide?
3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide has a molecular weight of 241.25 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide is sourced from PubChem (CID 78846849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).