4-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C7H5BrF3NOS — CID 139023326

IUPAC4-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(Br)cs1
InChIInChI=1S/C7H5BrF3NOS/c8-4-1-5(14-2-4)6(13)12-3-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyQKBZWAAKPXFXJY-UHFFFAOYSA-N
MW288.09 g/mol
LogP2.80
Rot. Bonds2

About 4-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

4-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 139023326) has the molecular formula C7H5BrF3NOS and a molecular weight of 288.09 g/mol. Its IUPAC name is 4-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID139023326
Molecular FormulaC7H5BrF3NOS
Molecular Weight288.09 g/mol
Exact Mass286.92
IUPAC Name4-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(Br)cs1
InChIInChI=1S/C7H5BrF3NOS/c8-4-1-5(14-2-4)6(13)12-3-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyQKBZWAAKPXFXJY-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 139023326) is 4-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is O=C(NCC(F)(F)F)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is QKBZWAAKPXFXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NOS/c8-4-1-5(14-2-4)6(13)12-3-7(9,10)11/h1-2H,3H2,(H,12,13).
What are the key properties of 4-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
4-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 288.09 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 139023326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).