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

C7H6BrF2NO2 — CID 131041505

IUPAC5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide
SMILESO=C(NCC(F)F)c1coc(Br)c1
InChIInChI=1S/C7H6BrF2NO2/c8-5-1-4(3-13-5)7(12)11-2-6(9)10/h1,3,6H,2H2,(H,11,12)
InChIKeyVRGAYGDRAVKPIZ-UHFFFAOYSA-N
MW254.03 g/mol
LogP2.04
Rot. Bonds3

About 5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide

5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide (PubChem CID 131041505) has the molecular formula C7H6BrF2NO2 and a molecular weight of 254.03 g/mol. Its IUPAC name is 5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide
PubChem CID131041505
Molecular FormulaC7H6BrF2NO2
Molecular Weight254.03 g/mol
Exact Mass252.95
IUPAC Name5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide
SMILESO=C(NCC(F)F)c1coc(Br)c1
InChIInChI=1S/C7H6BrF2NO2/c8-5-1-4(3-13-5)7(12)11-2-6(9)10/h1,3,6H,2H2,(H,11,12)
InChIKeyVRGAYGDRAVKPIZ-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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Related Compounds

3-[(5-bromofuran-3-carbonyl)amino]-2-methylpropanoic acid
CID 115731390
N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide
CID 119627230
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
2-[2-[(5-bromofuran-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 115731506
5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide
CID 120943152
5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide
CID 131107437
5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
CID 84590622
(2S)-2-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid
CID 119361530
(2S)-2-[(5-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 119360100
5-bromofuran-3-carboxamide
CID 10821494
1-(5-bromofuran-3-yl)-2-chloroethanone
CID 130653759
5-bromo-N-(1-ethylcyclobutyl)furan-3-carboxamide
CID 130978943

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide?
The IUPAC name of 5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide (CID 131041505) is 5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide is O=C(NCC(F)F)c1coc(Br)c1.
What is the InChIKey of 5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide?
The InChIKey is VRGAYGDRAVKPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO2/c8-5-1-4(3-13-5)7(12)11-2-6(9)10/h1,3,6H,2H2,(H,11,12).
What are the key properties of 5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide?
5-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 5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide is sourced from PubChem (CID 131041505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).