4-bromo-5-fluorothiophene-2-carboxamide

C5H3BrFNOS — CID 121229201

IUPAC4-bromo-5-fluorothiophene-2-carboxamide
SMILESNC(=O)c1cc(Br)c(F)s1
InChIInChI=1S/C5H3BrFNOS/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H2,8,9)
InChIKeyKRUKULVQHOXZGF-UHFFFAOYSA-N
MW224.05 g/mol
LogP1.75
Rot. Bonds1

About 4-bromo-5-fluorothiophene-2-carboxamide

4-bromo-5-fluorothiophene-2-carboxamide (PubChem CID 121229201) has the molecular formula C5H3BrFNOS and a molecular weight of 224.05 g/mol. Its IUPAC name is 4-bromo-5-fluorothiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-5-fluorothiophene-2-carboxamide
PubChem CID121229201
Molecular FormulaC5H3BrFNOS
Molecular Weight224.05 g/mol
Exact Mass222.91
IUPAC Name4-bromo-5-fluorothiophene-2-carboxamide
SMILESNC(=O)c1cc(Br)c(F)s1
InChIInChI=1S/C5H3BrFNOS/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H2,8,9)
InChIKeyKRUKULVQHOXZGF-UHFFFAOYSA-N
XLogP1.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromothiophene-2-carbohydrazide
CID 843260
4,5-Dibromothiophene-2-carbohydrazide
CID 1224897
5-bromo-N-hydroxythiophene-2-carboxamide
CID 4962509
5-Bromothiophene-2-carbohydrazide
CID 2063863
5-Bromothiophene-2-carboxamide
CID 605722
3-Bromothiophene-2-carboxamide
CID 605721
4-Bromo-2-thiophenecarboxamide
CID 12836067
5-Bromo-3-chlorothiophene-2-carboxamide
CID 155820779
3-Bromothiophene-2-carbonyl isothiocyanate
CID 63796412
3,5-Dibromothiophene-2-carboxamide
CID 85536412
5-Bromo-4-chloro-2-thiophenecarboxamide
CID 139022556
3-Fluorothiophene-2-carboxamide
CID 12836065

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluorothiophene-2-carboxamide?
The IUPAC name of 4-bromo-5-fluorothiophene-2-carboxamide (CID 121229201) is 4-bromo-5-fluorothiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-5-fluorothiophene-2-carboxamide?
The canonical SMILES for 4-bromo-5-fluorothiophene-2-carboxamide is NC(=O)c1cc(Br)c(F)s1.
What is the InChIKey of 4-bromo-5-fluorothiophene-2-carboxamide?
The InChIKey is KRUKULVQHOXZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrFNOS/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H2,8,9).
What are the key properties of 4-bromo-5-fluorothiophene-2-carboxamide?
4-bromo-5-fluorothiophene-2-carboxamide has a molecular weight of 224.05 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluorothiophene-2-carboxamide is sourced from PubChem (CID 121229201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).