1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethanamine

C6H5BrF3NS — CID 79016026

IUPAC1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethanamine
SMILESNC(c1sccc1Br)C(F)(F)F
InChIInChI=1S/C6H5BrF3NS/c7-3-1-2-12-4(3)5(11)6(8,9)10/h1-2,5H,11H2
InChIKeySGSXNFLKKHWAEQ-UHFFFAOYSA-N
MW260.08 g/mol
LogP3.07
Rot. Bonds1

About 1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethanamine

1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethanamine (PubChem CID 79016026) has the molecular formula C6H5BrF3NS and a molecular weight of 260.08 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethanamine
PubChem CID79016026
Molecular FormulaC6H5BrF3NS
Molecular Weight260.08 g/mol
Exact Mass258.93
IUPAC Name1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethanamine
SMILESNC(c1sccc1Br)C(F)(F)F
InChIInChI=1S/C6H5BrF3NS/c7-3-1-2-12-4(3)5(11)6(8,9)10/h1-2,5H,11H2
InChIKeySGSXNFLKKHWAEQ-UHFFFAOYSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethanamine (CID 79016026) is 1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethanamine is NC(c1sccc1Br)C(F)(F)F.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethanamine?
The InChIKey is SGSXNFLKKHWAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF3NS/c7-3-1-2-12-4(3)5(11)6(8,9)10/h1-2,5H,11H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethanamine?
1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethanamine has a molecular weight of 260.08 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 79016026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).