1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-amine

C7H6Br2F3NS — CID 43167414

IUPAC1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)c1cc(Br)sc1Br
InChIInChI=1S/C7H6Br2F3NS/c8-5-1-3(6(9)14-5)4(13)2-7(10,11)12/h1,4H,2,13H2
InChIKeyFKRBLHHZSHSMKJ-UHFFFAOYSA-N
MW353.00 g/mol
LogP4.23
Rot. Bonds2

About 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-amine

1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 43167414) has the molecular formula C7H6Br2F3NS and a molecular weight of 353.00 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID43167414
Molecular FormulaC7H6Br2F3NS
Molecular Weight353.00 g/mol
Exact Mass350.85
IUPAC Name1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)c1cc(Br)sc1Br
InChIInChI=1S/C7H6Br2F3NS/c8-5-1-3(6(9)14-5)4(13)2-7(10,11)12/h1,4H,2,13H2
InChIKeyFKRBLHHZSHSMKJ-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 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 ≤ 54.23
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-trifluoropropan-1-amine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-amine (CID 43167414) is 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-amine is NC(CC(F)(F)F)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is FKRBLHHZSHSMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2F3NS/c8-5-1-3(6(9)14-5)4(13)2-7(10,11)12/h1,4H,2,13H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-amine?
1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 353.00 g/mol, XLogP of 4.23, 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)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43167414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).