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

C7H6BrF2NO2 — CID 106854196

IUPAC2-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide
SMILESO=C(NCC(F)F)c1ccoc1Br
InChIInChI=1S/C7H6BrF2NO2/c8-6-4(1-2-13-6)7(12)11-3-5(9)10/h1-2,5H,3H2,(H,11,12)
InChIKeyVTUMYPWNNFWHMG-UHFFFAOYSA-N
MW254.03 g/mol
LogP2.04
Rot. Bonds3

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

2-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide (PubChem CID 106854196) has the molecular formula C7H6BrF2NO2 and a molecular weight of 254.03 g/mol. Its IUPAC name is 2-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide
PubChem CID106854196
Molecular FormulaC7H6BrF2NO2
Molecular Weight254.03 g/mol
Exact Mass252.95
IUPAC Name2-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide
SMILESO=C(NCC(F)F)c1ccoc1Br
InChIInChI=1S/C7H6BrF2NO2/c8-6-4(1-2-13-6)7(12)11-3-5(9)10/h1-2,5H,3H2,(H,11,12)
InChIKeyVTUMYPWNNFWHMG-UHFFFAOYSA-N
XLogP2.04
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.03
LogP ≤ 52.04
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-difluoroethyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide (CID 106854196) is 2-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide is O=C(NCC(F)F)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide?
The InChIKey is VTUMYPWNNFWHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO2/c8-6-4(1-2-13-6)7(12)11-3-5(9)10/h1-2,5H,3H2,(H,11,12).
What are the key properties of 2-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide?
2-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide has a molecular weight of 254.03 g/mol, XLogP of 2.04, 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-difluoroethyl)furan-3-carboxamide is sourced from PubChem (CID 106854196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).