5-bromo-N-(3,3-difluorobutan-2-yl)thiophene-3-carboxamide

C9H10BrF2NOS — CID 130908916

IUPAC5-bromo-N-(3,3-difluorobutan-2-yl)thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(Br)c1)C(C)(F)F
InChIInChI=1S/C9H10BrF2NOS/c1-5(9(2,11)12)13-8(14)6-3-7(10)15-4-6/h3-5H,1-2H3,(H,13,14)
InChIKeyKMGWHBLMBLICJY-UHFFFAOYSA-N
MW298.15 g/mol
LogP3.28
Rot. Bonds3

About 5-bromo-N-(3,3-difluorobutan-2-yl)thiophene-3-carboxamide

5-bromo-N-(3,3-difluorobutan-2-yl)thiophene-3-carboxamide (PubChem CID 130908916) has the molecular formula C9H10BrF2NOS and a molecular weight of 298.15 g/mol. Its IUPAC name is 5-bromo-N-(3,3-difluorobutan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3,3-difluorobutan-2-yl)thiophene-3-carboxamide
PubChem CID130908916
Molecular FormulaC9H10BrF2NOS
Molecular Weight298.15 g/mol
Exact Mass296.96
IUPAC Name5-bromo-N-(3,3-difluorobutan-2-yl)thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(Br)c1)C(C)(F)F
InChIInChI=1S/C9H10BrF2NOS/c1-5(9(2,11)12)13-8(14)6-3-7(10)15-4-6/h3-5H,1-2H3,(H,13,14)
InChIKeyKMGWHBLMBLICJY-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3-difluorobutan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(3,3-difluorobutan-2-yl)thiophene-3-carboxamide (CID 130908916) is 5-bromo-N-(3,3-difluorobutan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3,3-difluorobutan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3,3-difluorobutan-2-yl)thiophene-3-carboxamide is CC(NC(=O)c1csc(Br)c1)C(C)(F)F.
What is the InChIKey of 5-bromo-N-(3,3-difluorobutan-2-yl)thiophene-3-carboxamide?
The InChIKey is KMGWHBLMBLICJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NOS/c1-5(9(2,11)12)13-8(14)6-3-7(10)15-4-6/h3-5H,1-2H3,(H,13,14).
What are the key properties of 5-bromo-N-(3,3-difluorobutan-2-yl)thiophene-3-carboxamide?
5-bromo-N-(3,3-difluorobutan-2-yl)thiophene-3-carboxamide has a molecular weight of 298.15 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3-difluorobutan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 130908916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).