N-[[1-(bromomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C9H13BrF3NO2 — CID 103212601

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC1(CBr)CC1
InChIInChI=1S/C9H13BrF3NO2/c10-4-8(1-2-8)5-14-7(15)3-16-6-9(11,12)13/h1-6H2,(H,14,15)
InChIKeyAYJNYRVZFCHOTI-UHFFFAOYSA-N
MW304.11 g/mol
LogP1.86
Rot. Bonds6

About N-[[1-(bromomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[[1-(bromomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212601) has the molecular formula C9H13BrF3NO2 and a molecular weight of 304.11 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212601
Molecular FormulaC9H13BrF3NO2
Molecular Weight304.11 g/mol
Exact Mass303.01
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC1(CBr)CC1
InChIInChI=1S/C9H13BrF3NO2/c10-4-8(1-2-8)5-14-7(15)3-16-6-9(11,12)13/h1-6H2,(H,14,15)
InChIKeyAYJNYRVZFCHOTI-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.11
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-(bromomethyl)cyclopropyl]methyl]-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-(bromomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212601) is N-[[1-(bromomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NCC1(CBr)CC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is AYJNYRVZFCHOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrF3NO2/c10-4-8(1-2-8)5-14-7(15)3-16-6-9(11,12)13/h1-6H2,(H,14,15).
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 304.11 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).