5-(1,1-difluoroethyl)-1-benzothiophene-2-carboxamide

C11H9F2NOS — CID 169171044

IUPAC5-(1,1-difluoroethyl)-1-benzothiophene-2-carboxamide
SMILESCC(F)(F)c1ccc2sc(C(N)=O)cc2c1
InChIInChI=1S/C11H9F2NOS/c1-11(12,13)7-2-3-8-6(4-7)5-9(16-8)10(14)15/h2-5H,1H3,(H2,14,15)
InChIKeyHJWLDVAVZZIFJG-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.11
Rot. Bonds2

About 5-(1,1-difluoroethyl)-1-benzothiophene-2-carboxamide

5-(1,1-difluoroethyl)-1-benzothiophene-2-carboxamide (PubChem CID 169171044) has the molecular formula C11H9F2NOS and a molecular weight of 241.26 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-1-benzothiophene-2-carboxamide
PubChem CID169171044
Molecular FormulaC11H9F2NOS
Molecular Weight241.26 g/mol
Exact Mass241.04
IUPAC Name5-(1,1-difluoroethyl)-1-benzothiophene-2-carboxamide
SMILESCC(F)(F)c1ccc2sc(C(N)=O)cc2c1
InChIInChI=1S/C11H9F2NOS/c1-11(12,13)7-2-3-8-6(4-7)5-9(16-8)10(14)15/h2-5H,1H3,(H2,14,15)
InChIKeyHJWLDVAVZZIFJG-UHFFFAOYSA-N
XLogP3.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-(1,1-difluoroethyl)-1-benzothiophene-2-carboxamide (CID 169171044) is 5-(1,1-difluoroethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-(1,1-difluoroethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-(1,1-difluoroethyl)-1-benzothiophene-2-carboxamide is CC(F)(F)c1ccc2sc(C(N)=O)cc2c1.
What is the InChIKey of 5-(1,1-difluoroethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is HJWLDVAVZZIFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NOS/c1-11(12,13)7-2-3-8-6(4-7)5-9(16-8)10(14)15/h2-5H,1H3,(H2,14,15).
What are the key properties of 5-(1,1-difluoroethyl)-1-benzothiophene-2-carboxamide?
5-(1,1-difluoroethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 241.26 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 5-(1,1-difluoroethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 169171044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).