1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine

C8H8BrClF3NS — CID 80531311

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCNC(c1cc(Cl)c(Br)s1)C(F)(F)F
InChIInChI=1S/C8H8BrClF3NS/c1-2-14-6(8(11,12)13)5-3-4(10)7(9)15-5/h3,6,14H,2H2,1H3
InChIKeyPRHVXTJNODZULI-UHFFFAOYSA-N
MW322.58 g/mol
LogP4.38
Rot. Bonds3

About 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine

1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 80531311) has the molecular formula C8H8BrClF3NS and a molecular weight of 322.58 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID80531311
Molecular FormulaC8H8BrClF3NS
Molecular Weight322.58 g/mol
Exact Mass320.92
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCNC(c1cc(Cl)c(Br)s1)C(F)(F)F
InChIInChI=1S/C8H8BrClF3NS/c1-2-14-6(8(11,12)13)5-3-4(10)7(9)15-5/h3,6,14H,2H2,1H3
InChIKeyPRHVXTJNODZULI-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.58
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine 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-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine (CID 80531311) is 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine is CCNC(c1cc(Cl)c(Br)s1)C(F)(F)F.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is PRHVXTJNODZULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClF3NS/c1-2-14-6(8(11,12)13)5-3-4(10)7(9)15-5/h3,6,14H,2H2,1H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine?
1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 322.58 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 80531311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).