N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide

C7H6F3NO2S — CID 81340622

IUPACN-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
SMILESO=C(NOCC(F)(F)F)c1cccs1
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)4-13-11-6(12)5-2-1-3-14-5/h1-3H,4H2,(H,11,12)
InChIKeyBNUYMUBFGCRUFS-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.97
Rot. Bonds3

About N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide

N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide (PubChem CID 81340622) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
PubChem CID81340622
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC NameN-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
SMILESO=C(NOCC(F)(F)F)c1cccs1
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)4-13-11-6(12)5-2-1-3-14-5/h1-3H,4H2,(H,11,12)
InChIKeyBNUYMUBFGCRUFS-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide (CID 81340622) is N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide is O=C(NOCC(F)(F)F)c1cccs1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
The InChIKey is BNUYMUBFGCRUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c8-7(9,10)4-13-11-6(12)5-2-1-3-14-5/h1-3H,4H2,(H,11,12).
What are the key properties of N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide has a molecular weight of 225.19 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 81340622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).