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

C8H8Br2F3NS — CID 43486982

IUPAC1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1cc(Br)sc1Br
InChIInChI=1S/C8H8Br2F3NS/c1-14-5(3-8(11,12)13)4-2-6(9)15-7(4)10/h2,5,14H,3H2,1H3
InChIKeyAKSYVFWJNZKOPD-UHFFFAOYSA-N
MW367.03 g/mol
LogP4.49
Rot. Bonds3

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

1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 43486982) has the molecular formula C8H8Br2F3NS and a molecular weight of 367.03 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID43486982
Molecular FormulaC8H8Br2F3NS
Molecular Weight367.03 g/mol
Exact Mass364.87
IUPAC Name1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1cc(Br)sc1Br
InChIInChI=1S/C8H8Br2F3NS/c1-14-5(3-8(11,12)13)4-2-6(9)15-7(4)10/h2,5,14H,3H2,1H3
InChIKeyAKSYVFWJNZKOPD-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)-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine (CID 43486982) is 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine is CNC(CC(F)(F)F)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is AKSYVFWJNZKOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2F3NS/c1-14-5(3-8(11,12)13)4-2-6(9)15-7(4)10/h2,5,14H,3H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine 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)-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 43486982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).