1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoro-N-methylethanamine

C7H6Br2F3NS — CID 43486886

IUPAC1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(c1cc(Br)sc1Br)C(F)(F)F
InChIInChI=1S/C7H6Br2F3NS/c1-13-5(7(10,11)12)3-2-4(8)14-6(3)9/h2,5,13H,1H3
InChIKeyFMKWBMIAVCOHAZ-UHFFFAOYSA-N
MW353.00 g/mol
LogP4.10
Rot. Bonds2

About 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoro-N-methylethanamine

1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoro-N-methylethanamine (PubChem CID 43486886) has the molecular formula C7H6Br2F3NS and a molecular weight of 353.00 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoro-N-methylethanamine
PubChem CID43486886
Molecular FormulaC7H6Br2F3NS
Molecular Weight353.00 g/mol
Exact Mass350.85
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(c1cc(Br)sc1Br)C(F)(F)F
InChIInChI=1S/C7H6Br2F3NS/c1-13-5(7(10,11)12)3-2-4(8)14-6(3)9/h2,5,13H,1H3
InChIKeyFMKWBMIAVCOHAZ-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.00
LogP ≤ 54.10
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-trifluoro-N-methylethanamine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoro-N-methylethanamine (CID 43486886) is 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoro-N-methylethanamine is CNC(c1cc(Br)sc1Br)C(F)(F)F.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is FMKWBMIAVCOHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2F3NS/c1-13-5(7(10,11)12)3-2-4(8)14-6(3)9/h2,5,13H,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoro-N-methylethanamine?
1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 353.00 g/mol, XLogP of 4.10, 2 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-trifluoro-N-methylethanamine is sourced from PubChem (CID 43486886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).