3,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C9H10F3NOS — CID 58458816

IUPAC3,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C9H10F3NOS/c1-5-3-6(2)15-7(5)8(14)13-4-9(10,11)12/h3H,4H2,1-2H3,(H,13,14)
InChIKeyYOGKKBQRRUQCDI-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.66
Rot. Bonds2

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

3,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 58458816) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID58458816
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name3,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C9H10F3NOS/c1-5-3-6(2)15-7(5)8(14)13-4-9(10,11)12/h3H,4H2,1-2H3,(H,13,14)
InChIKeyYOGKKBQRRUQCDI-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 58458816) is 3,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is Cc1cc(C)c(C(=O)NCC(F)(F)F)s1.
What is the InChIKey of 3,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is YOGKKBQRRUQCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-5-3-6(2)15-7(5)8(14)13-4-9(10,11)12/h3H,4H2,1-2H3,(H,13,14).
What are the key properties of 3,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
3,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 237.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 58458816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).