N-tert-butyl-3-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C11H14F3NOS — CID 138963599

IUPACN-tert-butyl-3-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1sccc1CC(F)(F)F
InChIInChI=1S/C11H14F3NOS/c1-10(2,3)15-9(16)8-7(4-5-17-8)6-11(12,13)14/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyXIDPBPMNVILHMT-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.38
Rot. Bonds2

About N-tert-butyl-3-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

N-tert-butyl-3-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 138963599) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is N-tert-butyl-3-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID138963599
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC NameN-tert-butyl-3-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1sccc1CC(F)(F)F
InChIInChI=1S/C11H14F3NOS/c1-10(2,3)15-9(16)8-7(4-5-17-8)6-11(12,13)14/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyXIDPBPMNVILHMT-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of N-tert-butyl-3-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 138963599) is N-tert-butyl-3-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for N-tert-butyl-3-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CC(C)(C)NC(=O)c1sccc1CC(F)(F)F.
What is the InChIKey of N-tert-butyl-3-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is XIDPBPMNVILHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS/c1-10(2,3)15-9(16)8-7(4-5-17-8)6-11(12,13)14/h4-5H,6H2,1-3H3,(H,15,16).
What are the key properties of N-tert-butyl-3-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
N-tert-butyl-3-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 265.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 138963599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).