3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C12H13BrF3NOS — CID 60778115

IUPAC3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1sccc1Br
InChIInChI=1S/C12H13BrF3NOS/c1-7(8-2-3-8)17(6-12(14,15)16)11(18)10-9(13)4-5-19-10/h4-5,7-8H,2-3,6H2,1H3
InChIKeyVYGTZOHDEFYVDT-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.31
Rot. Bonds4

About 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 60778115) has the molecular formula C12H13BrF3NOS and a molecular weight of 356.21 g/mol. Its IUPAC name is 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID60778115
Molecular FormulaC12H13BrF3NOS
Molecular Weight356.21 g/mol
Exact Mass354.99
IUPAC Name3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1sccc1Br
InChIInChI=1S/C12H13BrF3NOS/c1-7(8-2-3-8)17(6-12(14,15)16)11(18)10-9(13)4-5-19-10/h4-5,7-8H,2-3,6H2,1H3
InChIKeyVYGTZOHDEFYVDT-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 60778115) is 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is VYGTZOHDEFYVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NOS/c1-7(8-2-3-8)17(6-12(14,15)16)11(18)10-9(13)4-5-19-10/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 356.21 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 60778115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).