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

C7H5BrF3NO2 — CID 106852453

IUPAC2-bromo-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccoc1Br
InChIInChI=1S/C7H5BrF3NO2/c8-5-4(1-2-14-5)6(13)12-3-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyPRUQJBZAXFMOEN-UHFFFAOYSA-N
MW272.02 g/mol
LogP2.33
Rot. Bonds2

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

2-bromo-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (PubChem CID 106852453) has the molecular formula C7H5BrF3NO2 and a molecular weight of 272.02 g/mol. Its IUPAC name is 2-bromo-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
PubChem CID106852453
Molecular FormulaC7H5BrF3NO2
Molecular Weight272.02 g/mol
Exact Mass270.95
IUPAC Name2-bromo-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccoc1Br
InChIInChI=1S/C7H5BrF3NO2/c8-5-4(1-2-14-5)6(13)12-3-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyPRUQJBZAXFMOEN-UHFFFAOYSA-N
XLogP2.33
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.02
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (CID 106852453) is 2-bromo-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is O=C(NCC(F)(F)F)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The InChIKey is PRUQJBZAXFMOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO2/c8-5-4(1-2-14-5)6(13)12-3-7(9,10)11/h1-2H,3H2,(H,12,13).
What are the key properties of 2-bromo-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
2-bromo-N-(2,2,2-trifluoroethyl)furan-3-carboxamide has a molecular weight of 272.02 g/mol, XLogP of 2.33, 2 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-trifluoroethyl)furan-3-carboxamide is sourced from PubChem (CID 106852453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).