1-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C10H14ClF3N2S — CID 55011112

IUPAC1-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CC(F)(F)F)C(CN)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClF3N2S/c1-2-16(6-10(12,13)14)7(5-15)8-3-4-9(11)17-8/h3-4,7H,2,5-6,15H2,1H3
InChIKeyJMJGNJQPLJUPJB-UHFFFAOYSA-N
MW286.75 g/mol
LogP3.29
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 55011112) has the molecular formula C10H14ClF3N2S and a molecular weight of 286.75 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID55011112
Molecular FormulaC10H14ClF3N2S
Molecular Weight286.75 g/mol
Exact Mass286.05
IUPAC Name1-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CC(F)(F)F)C(CN)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClF3N2S/c1-2-16(6-10(12,13)14)7(5-15)8-3-4-9(11)17-8/h3-4,7H,2,5-6,15H2,1H3
InChIKeyJMJGNJQPLJUPJB-UHFFFAOYSA-N
XLogP3.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.75
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 55011112) is 1-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCN(CC(F)(F)F)C(CN)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is JMJGNJQPLJUPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF3N2S/c1-2-16(6-10(12,13)14)7(5-15)8-3-4-9(11)17-8/h3-4,7H,2,5-6,15H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 286.75 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 55011112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).