1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanamine

C6H4Br2F3NS — CID 43345043

IUPAC1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanamine
SMILESNC(c1cc(Br)sc1Br)C(F)(F)F
InChIInChI=1S/C6H4Br2F3NS/c7-3-1-2(5(8)13-3)4(12)6(9,10)11/h1,4H,12H2
InChIKeyGDJCGXPJBUDXPT-UHFFFAOYSA-N
MW338.97 g/mol
LogP3.84
Rot. Bonds1

About 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanamine

1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanamine (PubChem CID 43345043) has the molecular formula C6H4Br2F3NS and a molecular weight of 338.97 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanamine
PubChem CID43345043
Molecular FormulaC6H4Br2F3NS
Molecular Weight338.97 g/mol
Exact Mass336.84
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanamine
SMILESNC(c1cc(Br)sc1Br)C(F)(F)F
InChIInChI=1S/C6H4Br2F3NS/c7-3-1-2(5(8)13-3)4(12)6(9,10)11/h1,4H,12H2
InChIKeyGDJCGXPJBUDXPT-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.97
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanamine (CID 43345043) is 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanamine is NC(c1cc(Br)sc1Br)C(F)(F)F.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanamine?
The InChIKey is GDJCGXPJBUDXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2F3NS/c7-3-1-2(5(8)13-3)4(12)6(9,10)11/h1,4H,12H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanamine?
1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanamine has a molecular weight of 338.97 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 43345043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).