N-(2-bromoethyl)-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide

C10H17BrF3NO2 — CID 103212226

IUPACN-(2-bromoethyl)-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCCN(CCBr)C(=O)COCC(F)(F)F
InChIInChI=1S/C10H17BrF3NO2/c1-2-3-5-15(6-4-11)9(16)7-17-8-10(12,13)14/h2-8H2,1H3
InChIKeyKTRGJGQWOYGNQB-UHFFFAOYSA-N
MW320.15 g/mol
LogP2.59
Rot. Bonds8

About N-(2-bromoethyl)-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-bromoethyl)-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212226) has the molecular formula C10H17BrF3NO2 and a molecular weight of 320.15 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212226
Molecular FormulaC10H17BrF3NO2
Molecular Weight320.15 g/mol
Exact Mass319.04
IUPAC NameN-(2-bromoethyl)-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCCN(CCBr)C(=O)COCC(F)(F)F
InChIInChI=1S/C10H17BrF3NO2/c1-2-3-5-15(6-4-11)9(16)7-17-8-10(12,13)14/h2-8H2,1H3
InChIKeyKTRGJGQWOYGNQB-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.59
H-Bond Donors ≤ 50
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-(2-bromoethyl)-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-bromoethyl)-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212226) is N-(2-bromoethyl)-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-bromoethyl)-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide is CCCCN(CCBr)C(=O)COCC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is KTRGJGQWOYGNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3NO2/c1-2-3-5-15(6-4-11)9(16)7-17-8-10(12,13)14/h2-8H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-bromoethyl)-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 320.15 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).