5-bromo-N-(2,2,2-trifluoroethyl)thiophen-2-amine

C6H5BrF3NS — CID 115257640

IUPAC5-bromo-N-(2,2,2-trifluoroethyl)thiophen-2-amine
SMILESFC(F)(F)CNc1ccc(Br)s1
InChIInChI=1S/C6H5BrF3NS/c7-4-1-2-5(12-4)11-3-6(8,9)10/h1-2,11H,3H2
InChIKeyQSMHEYFDMPECLO-UHFFFAOYSA-N
MW260.08 g/mol
LogP3.48
Rot. Bonds2

About 5-bromo-N-(2,2,2-trifluoroethyl)thiophen-2-amine

5-bromo-N-(2,2,2-trifluoroethyl)thiophen-2-amine (PubChem CID 115257640) has the molecular formula C6H5BrF3NS and a molecular weight of 260.08 g/mol. Its IUPAC name is 5-bromo-N-(2,2,2-trifluoroethyl)thiophen-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,2,2-trifluoroethyl)thiophen-2-amine
PubChem CID115257640
Molecular FormulaC6H5BrF3NS
Molecular Weight260.08 g/mol
Exact Mass258.93
IUPAC Name5-bromo-N-(2,2,2-trifluoroethyl)thiophen-2-amine
SMILESFC(F)(F)CNc1ccc(Br)s1
InChIInChI=1S/C6H5BrF3NS/c7-4-1-2-5(12-4)11-3-6(8,9)10/h1-2,11H,3H2
InChIKeyQSMHEYFDMPECLO-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2,2-trifluoroethyl)thiophen-2-amine?
The IUPAC name of 5-bromo-N-(2,2,2-trifluoroethyl)thiophen-2-amine (CID 115257640) is 5-bromo-N-(2,2,2-trifluoroethyl)thiophen-2-amine.
What is the SMILES notation for 5-bromo-N-(2,2,2-trifluoroethyl)thiophen-2-amine?
The canonical SMILES for 5-bromo-N-(2,2,2-trifluoroethyl)thiophen-2-amine is FC(F)(F)CNc1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2,2,2-trifluoroethyl)thiophen-2-amine?
The InChIKey is QSMHEYFDMPECLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF3NS/c7-4-1-2-5(12-4)11-3-6(8,9)10/h1-2,11H,3H2.
What are the key properties of 5-bromo-N-(2,2,2-trifluoroethyl)thiophen-2-amine?
5-bromo-N-(2,2,2-trifluoroethyl)thiophen-2-amine has a molecular weight of 260.08 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2,2-trifluoroethyl)thiophen-2-amine is sourced from PubChem (CID 115257640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).