4-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide

C12H8F3NO2S — CID 23063732

IUPAC4-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C12H8F3NO2S/c13-12(14,15)18-9-3-1-7(2-4-9)8-5-10(11(16)17)19-6-8/h1-6H,(H2,16,17)
InChIKeyPODYSCOWQYKQCB-UHFFFAOYSA-N
MW287.26 g/mol
LogP3.41
Rot. Bonds3

About 4-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide

4-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide (PubChem CID 23063732) has the molecular formula C12H8F3NO2S and a molecular weight of 287.26 g/mol. Its IUPAC name is 4-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
PubChem CID23063732
Molecular FormulaC12H8F3NO2S
Molecular Weight287.26 g/mol
Exact Mass287.02
IUPAC Name4-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C12H8F3NO2S/c13-12(14,15)18-9-3-1-7(2-4-9)8-5-10(11(16)17)19-6-8/h1-6H,(H2,16,17)
InChIKeyPODYSCOWQYKQCB-UHFFFAOYSA-N
XLogP3.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide (CID 23063732) is 4-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide is NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1.
What is the InChIKey of 4-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is PODYSCOWQYKQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2S/c13-12(14,15)18-9-3-1-7(2-4-9)8-5-10(11(16)17)19-6-8/h1-6H,(H2,16,17).
What are the key properties of 4-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
4-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 287.26 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 23063732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).