3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C10H11BrF3NOS — CID 60778354

IUPAC3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1sccc1Br
InChIInChI=1S/C10H11BrF3NOS/c1-2-4-15(6-10(12,13)14)9(16)8-7(11)3-5-17-8/h3,5H,2,4,6H2,1H3
InChIKeyKFBFUFIFKFAOSE-UHFFFAOYSA-N
MW330.17 g/mol
LogP3.93
Rot. Bonds4

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

3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 60778354) has the molecular formula C10H11BrF3NOS and a molecular weight of 330.17 g/mol. Its IUPAC name is 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID60778354
Molecular FormulaC10H11BrF3NOS
Molecular Weight330.17 g/mol
Exact Mass328.97
IUPAC Name3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1sccc1Br
InChIInChI=1S/C10H11BrF3NOS/c1-2-4-15(6-10(12,13)14)9(16)8-7(11)3-5-17-8/h3,5H,2,4,6H2,1H3
InChIKeyKFBFUFIFKFAOSE-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 60778354) is 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CCCN(CC(F)(F)F)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is KFBFUFIFKFAOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NOS/c1-2-4-15(6-10(12,13)14)9(16)8-7(11)3-5-17-8/h3,5H,2,4,6H2,1H3.
What are the key properties of 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 330.17 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 60778354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).