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

C7H5ClF3NO2S — CID 82722464

IUPAC3-chloro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
SMILESO=C(NOCC(F)(F)F)c1sccc1Cl
InChIInChI=1S/C7H5ClF3NO2S/c8-4-1-2-15-5(4)6(13)12-14-3-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyRSJHYEPCBGTCFP-UHFFFAOYSA-N
MW259.64 g/mol
LogP2.63
Rot. Bonds3

About 3-chloro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide

3-chloro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide (PubChem CID 82722464) has the molecular formula C7H5ClF3NO2S and a molecular weight of 259.64 g/mol. Its IUPAC name is 3-chloro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
PubChem CID82722464
Molecular FormulaC7H5ClF3NO2S
Molecular Weight259.64 g/mol
Exact Mass258.97
IUPAC Name3-chloro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
SMILESO=C(NOCC(F)(F)F)c1sccc1Cl
InChIInChI=1S/C7H5ClF3NO2S/c8-4-1-2-15-5(4)6(13)12-14-3-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyRSJHYEPCBGTCFP-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.64
LogP ≤ 52.63
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 3-chloro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide (CID 82722464) is 3-chloro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide is O=C(NOCC(F)(F)F)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
The InChIKey is RSJHYEPCBGTCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2S/c8-4-1-2-15-5(4)6(13)12-14-3-7(9,10)11/h1-2H,3H2,(H,12,13).
What are the key properties of 3-chloro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide?
3-chloro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide has a molecular weight of 259.64 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 82722464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).