2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide

C10H15BrF3NO2 — CID 63681193

IUPAC2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESO=C(CBr)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C10H15BrF3NO2/c11-5-9(16)15-7-2-1-3-8(4-7)17-6-10(12,13)14/h7-8H,1-6H2,(H,15,16)
InChIKeyHUUUVZNEKHFZAT-UHFFFAOYSA-N
MW318.13 g/mol
LogP2.39
Rot. Bonds4

About 2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide

2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (PubChem CID 63681193) has the molecular formula C10H15BrF3NO2 and a molecular weight of 318.13 g/mol. Its IUPAC name is 2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
PubChem CID63681193
Molecular FormulaC10H15BrF3NO2
Molecular Weight318.13 g/mol
Exact Mass317.02
IUPAC Name2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESO=C(CBr)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C10H15BrF3NO2/c11-5-9(16)15-7-2-1-3-8(4-7)17-6-10(12,13)14/h7-8H,1-6H2,(H,15,16)
InChIKeyHUUUVZNEKHFZAT-UHFFFAOYSA-N
XLogP2.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 52.39
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 2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The IUPAC name of 2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (CID 63681193) is 2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.
What is the SMILES notation for 2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The canonical SMILES for 2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is O=C(CBr)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The InChIKey is HUUUVZNEKHFZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrF3NO2/c11-5-9(16)15-7-2-1-3-8(4-7)17-6-10(12,13)14/h7-8H,1-6H2,(H,15,16).
What are the key properties of 2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide has a molecular weight of 318.13 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is sourced from PubChem (CID 63681193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).