1-(4-bromothiophen-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine

C10H13BrF3NS — CID 79954936

IUPAC1-(4-bromothiophen-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)c1cscc1Br
InChIInChI=1S/C10H13BrF3NS/c1-2-15-9(3-4-10(12,13)14)7-5-16-6-8(7)11/h5-6,9,15H,2-4H2,1H3
InChIKeyUJDRWLAXHUHJHA-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.50
Rot. Bonds5

About 1-(4-bromothiophen-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine

1-(4-bromothiophen-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine (PubChem CID 79954936) has the molecular formula C10H13BrF3NS and a molecular weight of 316.19 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
PubChem CID79954936
Molecular FormulaC10H13BrF3NS
Molecular Weight316.19 g/mol
Exact Mass314.99
IUPAC Name1-(4-bromothiophen-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)c1cscc1Br
InChIInChI=1S/C10H13BrF3NS/c1-2-15-9(3-4-10(12,13)14)7-5-16-6-8(7)11/h5-6,9,15H,2-4H2,1H3
InChIKeyUJDRWLAXHUHJHA-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine (CID 79954936) is 1-(4-bromothiophen-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine is CCNC(CCC(F)(F)F)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is UJDRWLAXHUHJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3NS/c1-2-15-9(3-4-10(12,13)14)7-5-16-6-8(7)11/h5-6,9,15H,2-4H2,1H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
1-(4-bromothiophen-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine has a molecular weight of 316.19 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 79954936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).