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

C11H17BrF3NO2 — CID 103212535

IUPACN-[1-(bromomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC1(CBr)CCCCC1
InChIInChI=1S/C11H17BrF3NO2/c12-7-10(4-2-1-3-5-10)16-9(17)6-18-8-11(13,14)15/h1-8H2,(H,16,17)
InChIKeyBUXKJVPHBJWJGT-UHFFFAOYSA-N
MW332.16 g/mol
LogP2.78
Rot. Bonds5

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

N-[1-(bromomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212535) has the molecular formula C11H17BrF3NO2 and a molecular weight of 332.16 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212535
Molecular FormulaC11H17BrF3NO2
Molecular Weight332.16 g/mol
Exact Mass331.04
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC1(CBr)CCCCC1
InChIInChI=1S/C11H17BrF3NO2/c12-7-10(4-2-1-3-5-10)16-9(17)6-18-8-11(13,14)15/h1-8H2,(H,16,17)
InChIKeyBUXKJVPHBJWJGT-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 52.78
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-[1-(bromomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212535) is N-[1-(bromomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NC1(CBr)CCCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is BUXKJVPHBJWJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrF3NO2/c12-7-10(4-2-1-3-5-10)16-9(17)6-18-8-11(13,14)15/h1-8H2,(H,16,17).
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[1-(bromomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 332.16 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).