1-(4-bromothiophen-2-yl)-4,4,4-trifluorobutan-2-amine

C8H9BrF3NS — CID 62604265

IUPAC1-(4-bromothiophen-2-yl)-4,4,4-trifluorobutan-2-amine
SMILESNC(Cc1cc(Br)cs1)CC(F)(F)F
InChIInChI=1S/C8H9BrF3NS/c9-5-1-7(14-4-5)2-6(13)3-8(10,11)12/h1,4,6H,2-3,13H2
InChIKeyVLVBIYFPDHDBFR-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.33
Rot. Bonds3

About 1-(4-bromothiophen-2-yl)-4,4,4-trifluorobutan-2-amine

1-(4-bromothiophen-2-yl)-4,4,4-trifluorobutan-2-amine (PubChem CID 62604265) has the molecular formula C8H9BrF3NS and a molecular weight of 288.13 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-4,4,4-trifluorobutan-2-amine
PubChem CID62604265
Molecular FormulaC8H9BrF3NS
Molecular Weight288.13 g/mol
Exact Mass286.96
IUPAC Name1-(4-bromothiophen-2-yl)-4,4,4-trifluorobutan-2-amine
SMILESNC(Cc1cc(Br)cs1)CC(F)(F)F
InChIInChI=1S/C8H9BrF3NS/c9-5-1-7(14-4-5)2-6(13)3-8(10,11)12/h1,4,6H,2-3,13H2
InChIKeyVLVBIYFPDHDBFR-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-4,4,4-trifluorobutan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-4,4,4-trifluorobutan-2-amine (CID 62604265) is 1-(4-bromothiophen-2-yl)-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-4,4,4-trifluorobutan-2-amine is NC(Cc1cc(Br)cs1)CC(F)(F)F.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-4,4,4-trifluorobutan-2-amine?
The InChIKey is VLVBIYFPDHDBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3NS/c9-5-1-7(14-4-5)2-6(13)3-8(10,11)12/h1,4,6H,2-3,13H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-4,4,4-trifluorobutan-2-amine?
1-(4-bromothiophen-2-yl)-4,4,4-trifluorobutan-2-amine has a molecular weight of 288.13 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 62604265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).