N-(4-bromo-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H17BrF3NO2 — CID 103212579

IUPACN-(4-bromo-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(CCBr)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C10H17BrF3NO2/c1-2-8(3-4-11)5-15-9(16)6-17-7-10(12,13)14/h8H,2-7H2,1H3,(H,15,16)
InChIKeyITFKGTDSEKSKPU-UHFFFAOYSA-N
MW320.15 g/mol
LogP2.49
Rot. Bonds8

About N-(4-bromo-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(4-bromo-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212579) has the molecular formula C10H17BrF3NO2 and a molecular weight of 320.15 g/mol. Its IUPAC name is N-(4-bromo-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212579
Molecular FormulaC10H17BrF3NO2
Molecular Weight320.15 g/mol
Exact Mass319.04
IUPAC NameN-(4-bromo-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(CCBr)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C10H17BrF3NO2/c1-2-8(3-4-11)5-15-9(16)6-17-7-10(12,13)14/h8H,2-7H2,1H3,(H,15,16)
InChIKeyITFKGTDSEKSKPU-UHFFFAOYSA-N
XLogP2.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-bromo-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212579) is N-(4-bromo-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide is CCC(CCBr)CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-(4-bromo-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is ITFKGTDSEKSKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3NO2/c1-2-8(3-4-11)5-15-9(16)6-17-7-10(12,13)14/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-bromo-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 320.15 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).