N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

C7H6F3NOS — CID 45497145

IUPACN-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccsc1
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)4-11-6(12)5-1-2-13-3-5/h1-3H,4H2,(H,11,12)
InChIKeyZQRPUQOAFMWHNF-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.04
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 45497145) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID45497145
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC NameN-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccsc1
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)4-11-6(12)5-1-2-13-3-5/h1-3H,4H2,(H,11,12)
InChIKeyZQRPUQOAFMWHNF-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 45497145) is N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is O=C(NCC(F)(F)F)c1ccsc1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is ZQRPUQOAFMWHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c8-7(9,10)4-11-6(12)5-1-2-13-3-5/h1-3H,4H2,(H,11,12).
What are the key properties of N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 209.19 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 45497145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).