N-(trifluoromethyl)thiophene-3-carboxamide

C6H4F3NOS — CID 90993042

IUPACN-(trifluoromethyl)thiophene-3-carboxamide
SMILESO=C(NC(F)(F)F)c1ccsc1
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)10-5(11)4-1-2-12-3-4/h1-3H,(H,10,11)
InChIKeyGTGLWGPUCBZYAY-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.00
Rot. Bonds1

About N-(trifluoromethyl)thiophene-3-carboxamide

N-(trifluoromethyl)thiophene-3-carboxamide (PubChem CID 90993042) has the molecular formula C6H4F3NOS and a molecular weight of 195.17 g/mol. Its IUPAC name is N-(trifluoromethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(trifluoromethyl)thiophene-3-carboxamide
PubChem CID90993042
Molecular FormulaC6H4F3NOS
Molecular Weight195.17 g/mol
Exact Mass195.00
IUPAC NameN-(trifluoromethyl)thiophene-3-carboxamide
SMILESO=C(NC(F)(F)F)c1ccsc1
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)10-5(11)4-1-2-12-3-4/h1-3H,(H,10,11)
InChIKeyGTGLWGPUCBZYAY-UHFFFAOYSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)thiophene-3-carboxamide?
The IUPAC name of N-(trifluoromethyl)thiophene-3-carboxamide (CID 90993042) is N-(trifluoromethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(trifluoromethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(trifluoromethyl)thiophene-3-carboxamide is O=C(NC(F)(F)F)c1ccsc1.
What is the InChIKey of N-(trifluoromethyl)thiophene-3-carboxamide?
The InChIKey is GTGLWGPUCBZYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c7-6(8,9)10-5(11)4-1-2-12-3-4/h1-3H,(H,10,11).
What are the key properties of N-(trifluoromethyl)thiophene-3-carboxamide?
N-(trifluoromethyl)thiophene-3-carboxamide has a molecular weight of 195.17 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)thiophene-3-carboxamide is sourced from PubChem (CID 90993042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).