2-bromo-N-(2,2,2-trifluoroethoxy)furan-3-carboxamide

C7H5BrF3NO3 — CID 106854973

IUPAC2-bromo-N-(2,2,2-trifluoroethoxy)furan-3-carboxamide
SMILESO=C(NOCC(F)(F)F)c1ccoc1Br
InChIInChI=1S/C7H5BrF3NO3/c8-5-4(1-2-14-5)6(13)12-15-3-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyRQLICRPOAATVCU-UHFFFAOYSA-N
MW288.02 g/mol
LogP2.27
Rot. Bonds3

About 2-bromo-N-(2,2,2-trifluoroethoxy)furan-3-carboxamide

2-bromo-N-(2,2,2-trifluoroethoxy)furan-3-carboxamide (PubChem CID 106854973) has the molecular formula C7H5BrF3NO3 and a molecular weight of 288.02 g/mol. Its IUPAC name is 2-bromo-N-(2,2,2-trifluoroethoxy)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2,2,2-trifluoroethoxy)furan-3-carboxamide
PubChem CID106854973
Molecular FormulaC7H5BrF3NO3
Molecular Weight288.02 g/mol
Exact Mass286.94
IUPAC Name2-bromo-N-(2,2,2-trifluoroethoxy)furan-3-carboxamide
SMILESO=C(NOCC(F)(F)F)c1ccoc1Br
InChIInChI=1S/C7H5BrF3NO3/c8-5-4(1-2-14-5)6(13)12-15-3-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyRQLICRPOAATVCU-UHFFFAOYSA-N
XLogP2.27
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.02
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(2,2,2-trifluoroethoxy)furan-3-carboxamide (CID 106854973) is 2-bromo-N-(2,2,2-trifluoroethoxy)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2,2,2-trifluoroethoxy)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2,2,2-trifluoroethoxy)furan-3-carboxamide is O=C(NOCC(F)(F)F)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(2,2,2-trifluoroethoxy)furan-3-carboxamide?
The InChIKey is RQLICRPOAATVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO3/c8-5-4(1-2-14-5)6(13)12-15-3-7(9,10)11/h1-2H,3H2,(H,12,13).
What are the key properties of 2-bromo-N-(2,2,2-trifluoroethoxy)furan-3-carboxamide?
2-bromo-N-(2,2,2-trifluoroethoxy)furan-3-carboxamide has a molecular weight of 288.02 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2,2-trifluoroethoxy)furan-3-carboxamide is sourced from PubChem (CID 106854973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).