5-bromo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide

C8H7BrF3NOS — CID 63227526

IUPAC5-bromo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1csc(Br)c1
InChIInChI=1S/C8H7BrF3NOS/c9-6-3-5(4-15-6)7(14)13-2-1-8(10,11)12/h3-4H,1-2H2,(H,13,14)
InChIKeyJHBUHQPGJJNQQF-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.19
Rot. Bonds3

About 5-bromo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide

5-bromo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide (PubChem CID 63227526) has the molecular formula C8H7BrF3NOS and a molecular weight of 302.12 g/mol. Its IUPAC name is 5-bromo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide
PubChem CID63227526
Molecular FormulaC8H7BrF3NOS
Molecular Weight302.12 g/mol
Exact Mass300.94
IUPAC Name5-bromo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1csc(Br)c1
InChIInChI=1S/C8H7BrF3NOS/c9-6-3-5(4-15-6)7(14)13-2-1-8(10,11)12/h3-4H,1-2H2,(H,13,14)
InChIKeyJHBUHQPGJJNQQF-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide (CID 63227526) is 5-bromo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide is O=C(NCCC(F)(F)F)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide?
The InChIKey is JHBUHQPGJJNQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NOS/c9-6-3-5(4-15-6)7(14)13-2-1-8(10,11)12/h3-4H,1-2H2,(H,13,14).
What are the key properties of 5-bromo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide?
5-bromo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide has a molecular weight of 302.12 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide is sourced from PubChem (CID 63227526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).