N-(2,2,2-trifluoroethoxy)butanamide

C6H10F3NO2 — CID 81343161

IUPACN-(2,2,2-trifluoroethoxy)butanamide
SMILESCCCC(=O)NOCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-3-5(11)10-12-4-6(7,8)9/h2-4H2,1H3,(H,10,11)
InChIKeyAEWJJDKBVFRSPO-UHFFFAOYSA-N
MW185.14 g/mol
LogP1.40
Rot. Bonds4

About N-(2,2,2-trifluoroethoxy)butanamide

N-(2,2,2-trifluoroethoxy)butanamide (PubChem CID 81343161) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)butanamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)butanamide
PubChem CID81343161
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC NameN-(2,2,2-trifluoroethoxy)butanamide
SMILESCCCC(=O)NOCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-3-5(11)10-12-4-6(7,8)9/h2-4H2,1H3,(H,10,11)
InChIKeyAEWJJDKBVFRSPO-UHFFFAOYSA-N
XLogP1.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,2,2-trifluoroethoxy)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 N-(2,2,2-trifluoroethoxy)butanamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)butanamide (CID 81343161) is N-(2,2,2-trifluoroethoxy)butanamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)butanamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)butanamide is CCCC(=O)NOCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)butanamide?
The InChIKey is AEWJJDKBVFRSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-2-3-5(11)10-12-4-6(7,8)9/h2-4H2,1H3,(H,10,11).
What are the key properties of N-(2,2,2-trifluoroethoxy)butanamide?
N-(2,2,2-trifluoroethoxy)butanamide has a molecular weight of 185.14 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)butanamide is sourced from PubChem (CID 81343161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).