5-bromo-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide

C8H8BrF2NO2S — CID 103770505

IUPAC5-bromo-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide
SMILESO=C(NCC(O)C(F)F)c1csc(Br)c1
InChIInChI=1S/C8H8BrF2NO2S/c9-6-1-4(3-15-6)8(14)12-2-5(13)7(10)11/h1,3,5,7,13H,2H2,(H,12,14)
InChIKeyHCXQVXTUFNDINI-UHFFFAOYSA-N
MW300.12 g/mol
LogP1.87
Rot. Bonds4

About 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide

5-bromo-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide (PubChem CID 103770505) has the molecular formula C8H8BrF2NO2S and a molecular weight of 300.12 g/mol. Its IUPAC name is 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide
PubChem CID103770505
Molecular FormulaC8H8BrF2NO2S
Molecular Weight300.12 g/mol
Exact Mass298.94
IUPAC Name5-bromo-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide
SMILESO=C(NCC(O)C(F)F)c1csc(Br)c1
InChIInChI=1S/C8H8BrF2NO2S/c9-6-1-4(3-15-6)8(14)12-2-5(13)7(10)11/h1,3,5,7,13H,2H2,(H,12,14)
InChIKeyHCXQVXTUFNDINI-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide (CID 103770505) is 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide is O=C(NCC(O)C(F)F)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide?
The InChIKey is HCXQVXTUFNDINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO2S/c9-6-1-4(3-15-6)8(14)12-2-5(13)7(10)11/h1,3,5,7,13H,2H2,(H,12,14).
What are the key properties of 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide?
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide has a molecular weight of 300.12 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide is sourced from PubChem (CID 103770505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).