5-bromo-N-(1-fluoropropan-2-yl)thiophene-3-carboxamide

C8H9BrFNOS — CID 130643252

IUPAC5-bromo-N-(1-fluoropropan-2-yl)thiophene-3-carboxamide
SMILESCC(CF)NC(=O)c1csc(Br)c1
InChIInChI=1S/C8H9BrFNOS/c1-5(3-10)11-8(12)6-2-7(9)13-4-6/h2,4-5H,3H2,1H3,(H,11,12)
InChIKeyAHLSUKPCDNSOGR-UHFFFAOYSA-N
MW266.13 g/mol
LogP2.60
Rot. Bonds3

About 5-bromo-N-(1-fluoropropan-2-yl)thiophene-3-carboxamide

5-bromo-N-(1-fluoropropan-2-yl)thiophene-3-carboxamide (PubChem CID 130643252) has the molecular formula C8H9BrFNOS and a molecular weight of 266.13 g/mol. Its IUPAC name is 5-bromo-N-(1-fluoropropan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-fluoropropan-2-yl)thiophene-3-carboxamide
PubChem CID130643252
Molecular FormulaC8H9BrFNOS
Molecular Weight266.13 g/mol
Exact Mass264.96
IUPAC Name5-bromo-N-(1-fluoropropan-2-yl)thiophene-3-carboxamide
SMILESCC(CF)NC(=O)c1csc(Br)c1
InChIInChI=1S/C8H9BrFNOS/c1-5(3-10)11-8(12)6-2-7(9)13-4-6/h2,4-5H,3H2,1H3,(H,11,12)
InChIKeyAHLSUKPCDNSOGR-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-fluoropropan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-fluoropropan-2-yl)thiophene-3-carboxamide (CID 130643252) is 5-bromo-N-(1-fluoropropan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-fluoropropan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-fluoropropan-2-yl)thiophene-3-carboxamide is CC(CF)NC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(1-fluoropropan-2-yl)thiophene-3-carboxamide?
The InChIKey is AHLSUKPCDNSOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNOS/c1-5(3-10)11-8(12)6-2-7(9)13-4-6/h2,4-5H,3H2,1H3,(H,11,12).
What are the key properties of 5-bromo-N-(1-fluoropropan-2-yl)thiophene-3-carboxamide?
5-bromo-N-(1-fluoropropan-2-yl)thiophene-3-carboxamide has a molecular weight of 266.13 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-fluoropropan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 130643252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).