N-(1-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C9H15ClF3NO2 — CID 103212424

IUPACN-(1-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)C(CCl)NC(=O)COCC(F)(F)F
InChIInChI=1S/C9H15ClF3NO2/c1-6(2)7(3-10)14-8(15)4-16-5-9(11,12)13/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyAXUXHMVIZCNSAP-UHFFFAOYSA-N
MW261.67 g/mol
LogP1.94
Rot. Bonds6

About N-(1-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212424) has the molecular formula C9H15ClF3NO2 and a molecular weight of 261.67 g/mol. Its IUPAC name is N-(1-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212424
Molecular FormulaC9H15ClF3NO2
Molecular Weight261.67 g/mol
Exact Mass261.07
IUPAC NameN-(1-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)C(CCl)NC(=O)COCC(F)(F)F
InChIInChI=1S/C9H15ClF3NO2/c1-6(2)7(3-10)14-8(15)4-16-5-9(11,12)13/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyAXUXHMVIZCNSAP-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide 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-(1-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212424) is N-(1-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)C(CCl)NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(1-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is AXUXHMVIZCNSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO2/c1-6(2)7(3-10)14-8(15)4-16-5-9(11,12)13/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of N-(1-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 261.67 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).