1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C8H9BrClF3N2S — CID 102839591

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCC(NCC(F)(F)F)c1cc(Br)c(Cl)s1
InChIInChI=1S/C8H9BrClF3N2S/c9-4-1-6(16-7(4)10)5(2-14)15-3-8(11,12)13/h1,5,15H,2-3,14H2
InChIKeyRHCNYBALYRANTN-UHFFFAOYSA-N
MW337.59 g/mol
LogP3.32
Rot. Bonds4

About 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 102839591) has the molecular formula C8H9BrClF3N2S and a molecular weight of 337.59 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID102839591
Molecular FormulaC8H9BrClF3N2S
Molecular Weight337.59 g/mol
Exact Mass335.93
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCC(NCC(F)(F)F)c1cc(Br)c(Cl)s1
InChIInChI=1S/C8H9BrClF3N2S/c9-4-1-6(16-7(4)10)5(2-14)15-3-8(11,12)13/h1,5,15H,2-3,14H2
InChIKeyRHCNYBALYRANTN-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.59
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-5-chlorothiophen-2-yl)-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-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 102839591) is 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCC(NCC(F)(F)F)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is RHCNYBALYRANTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClF3N2S/c9-4-1-6(16-7(4)10)5(2-14)15-3-8(11,12)13/h1,5,15H,2-3,14H2.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 337.59 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 102839591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).