3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C8H7BrF3NOS — CID 58458778

IUPAC3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1cc(Br)c(C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C8H7BrF3NOS/c1-4-2-5(9)6(15-4)7(14)13-3-8(10,11)12/h2H,3H2,1H3,(H,13,14)
InChIKeyDYTNORGMYPSEGG-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.11
Rot. Bonds2

About 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 58458778) has the molecular formula C8H7BrF3NOS and a molecular weight of 302.12 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID58458778
Molecular FormulaC8H7BrF3NOS
Molecular Weight302.12 g/mol
Exact Mass300.94
IUPAC Name3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1cc(Br)c(C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C8H7BrF3NOS/c1-4-2-5(9)6(15-4)7(14)13-3-8(10,11)12/h2H,3H2,1H3,(H,13,14)
InChIKeyDYTNORGMYPSEGG-UHFFFAOYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 58458778) is 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is Cc1cc(Br)c(C(=O)NCC(F)(F)F)s1.
What is the InChIKey of 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is DYTNORGMYPSEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NOS/c1-4-2-5(9)6(15-4)7(14)13-3-8(10,11)12/h2H,3H2,1H3,(H,13,14).
What are the key properties of 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 302.12 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 58458778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).