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

C8H8Br2F3NS — CID 43493173

IUPAC1-(2,5-dibromothiophen-3-yl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCNC(c1cc(Br)sc1Br)C(F)(F)F
InChIInChI=1S/C8H8Br2F3NS/c1-2-14-6(8(11,12)13)4-3-5(9)15-7(4)10/h3,6,14H,2H2,1H3
InChIKeyJFRXSDQDTZVMMR-UHFFFAOYSA-N
MW367.03 g/mol
LogP4.49
Rot. Bonds3

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

1-(2,5-dibromothiophen-3-yl)-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 43493173) has the molecular formula C8H8Br2F3NS and a molecular weight of 367.03 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID43493173
Molecular FormulaC8H8Br2F3NS
Molecular Weight367.03 g/mol
Exact Mass364.87
IUPAC Name1-(2,5-dibromothiophen-3-yl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCNC(c1cc(Br)sc1Br)C(F)(F)F
InChIInChI=1S/C8H8Br2F3NS/c1-2-14-6(8(11,12)13)4-3-5(9)15-7(4)10/h3,6,14H,2H2,1H3
InChIKeyJFRXSDQDTZVMMR-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.03
LogP ≤ 54.49
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)-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-N-ethyl-2,2,2-trifluoroethanamine (CID 43493173) is 1-(2,5-dibromothiophen-3-yl)-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-N-ethyl-2,2,2-trifluoroethanamine is CCNC(c1cc(Br)sc1Br)C(F)(F)F.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is JFRXSDQDTZVMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2F3NS/c1-2-14-6(8(11,12)13)4-3-5(9)15-7(4)10/h3,6,14H,2H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-N-ethyl-2,2,2-trifluoroethanamine?
1-(2,5-dibromothiophen-3-yl)-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 367.03 g/mol, XLogP of 4.49, 3 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)-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 43493173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).