1-(5-bromothiophen-2-yl)-N-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H16BrF3N2S — CID 55011268

IUPAC1-(5-bromothiophen-2-yl)-N-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCN(CC(F)(F)F)C(CN)c1ccc(Br)s1
InChIInChI=1S/C11H16BrF3N2S/c1-2-5-17(7-11(13,14)15)8(6-16)9-3-4-10(12)18-9/h3-4,8H,2,5-7,16H2,1H3
InChIKeyAQQCPHGYZYUXCY-UHFFFAOYSA-N
MW345.23 g/mol
LogP3.78
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)-N-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-(5-bromothiophen-2-yl)-N-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 55011268) has the molecular formula C11H16BrF3N2S and a molecular weight of 345.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID55011268
Molecular FormulaC11H16BrF3N2S
Molecular Weight345.23 g/mol
Exact Mass344.02
IUPAC Name1-(5-bromothiophen-2-yl)-N-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCN(CC(F)(F)F)C(CN)c1ccc(Br)s1
InChIInChI=1S/C11H16BrF3N2S/c1-2-5-17(7-11(13,14)15)8(6-16)9-3-4-10(12)18-9/h3-4,8H,2,5-7,16H2,1H3
InChIKeyAQQCPHGYZYUXCY-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 55011268) is 1-(5-bromothiophen-2-yl)-N-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCCN(CC(F)(F)F)C(CN)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is AQQCPHGYZYUXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrF3N2S/c1-2-5-17(7-11(13,14)15)8(6-16)9-3-4-10(12)18-9/h3-4,8H,2,5-7,16H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-(5-bromothiophen-2-yl)-N-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 345.23 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 55011268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).