N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide

C12H8F3NOS — CID 2815542

IUPACN-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccsc1
InChIInChI=1S/C12H8F3NOS/c13-12(14,15)9-3-1-2-4-10(9)16-11(17)8-5-6-18-7-8/h1-7H,(H,16,17)
InChIKeyMAAIWIZFBOEUJK-UHFFFAOYSA-N
MW271.26 g/mol
LogP4.02
Rot. Bonds2

About N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide

N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide (PubChem CID 2815542) has the molecular formula C12H8F3NOS and a molecular weight of 271.26 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
PubChem CID2815542
Molecular FormulaC12H8F3NOS
Molecular Weight271.26 g/mol
Exact Mass271.03
IUPAC NameN-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccsc1
InChIInChI=1S/C12H8F3NOS/c13-12(14,15)9-3-1-2-4-10(9)16-11(17)8-5-6-18-7-8/h1-7H,(H,16,17)
InChIKeyMAAIWIZFBOEUJK-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide (CID 2815542) is N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1ccsc1.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The InChIKey is MAAIWIZFBOEUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NOS/c13-12(14,15)9-3-1-2-4-10(9)16-11(17)8-5-6-18-7-8/h1-7H,(H,16,17).
What are the key properties of N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide has a molecular weight of 271.26 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 2815542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).