2-bromo-N-(2,2,2-trifluoroethoxy)propanamide

C5H7BrF3NO2 — CID 107905623

IUPAC2-bromo-N-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(Br)C(=O)NOCC(F)(F)F
InChIInChI=1S/C5H7BrF3NO2/c1-3(6)4(11)10-12-2-5(7,8)9/h3H,2H2,1H3,(H,10,11)
InChIKeyGTFVFCZMZKOBQJ-UHFFFAOYSA-N
MW250.01 g/mol
LogP1.38
Rot. Bonds3

About 2-bromo-N-(2,2,2-trifluoroethoxy)propanamide

2-bromo-N-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 107905623) has the molecular formula C5H7BrF3NO2 and a molecular weight of 250.01 g/mol. Its IUPAC name is 2-bromo-N-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name2-bromo-N-(2,2,2-trifluoroethoxy)propanamide
PubChem CID107905623
Molecular FormulaC5H7BrF3NO2
Molecular Weight250.01 g/mol
Exact Mass248.96
IUPAC Name2-bromo-N-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(Br)C(=O)NOCC(F)(F)F
InChIInChI=1S/C5H7BrF3NO2/c1-3(6)4(11)10-12-2-5(7,8)9/h3H,2H2,1H3,(H,10,11)
InChIKeyGTFVFCZMZKOBQJ-UHFFFAOYSA-N
XLogP1.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.01
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of 2-bromo-N-(2,2,2-trifluoroethoxy)propanamide (CID 107905623) is 2-bromo-N-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for 2-bromo-N-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for 2-bromo-N-(2,2,2-trifluoroethoxy)propanamide is CC(Br)C(=O)NOCC(F)(F)F.
What is the InChIKey of 2-bromo-N-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is GTFVFCZMZKOBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrF3NO2/c1-3(6)4(11)10-12-2-5(7,8)9/h3H,2H2,1H3,(H,10,11).
What are the key properties of 2-bromo-N-(2,2,2-trifluoroethoxy)propanamide?
2-bromo-N-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 250.01 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 107905623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).