1-(5-chlorothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine

C10H13ClF3NS — CID 62604452

IUPAC1-(5-chlorothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
SMILESCCNC(Cc1ccc(Cl)s1)CC(F)(F)F
InChIInChI=1S/C10H13ClF3NS/c1-2-15-7(6-10(12,13)14)5-8-3-4-9(11)16-8/h3-4,7,15H,2,5-6H2,1H3
InChIKeyXUGSFZGAQJVFCM-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.87
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine

1-(5-chlorothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine (PubChem CID 62604452) has the molecular formula C10H13ClF3NS and a molecular weight of 271.74 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
PubChem CID62604452
Molecular FormulaC10H13ClF3NS
Molecular Weight271.74 g/mol
Exact Mass271.04
IUPAC Name1-(5-chlorothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
SMILESCCNC(Cc1ccc(Cl)s1)CC(F)(F)F
InChIInChI=1S/C10H13ClF3NS/c1-2-15-7(6-10(12,13)14)5-8-3-4-9(11)16-8/h3-4,7,15H,2,5-6H2,1H3
InChIKeyXUGSFZGAQJVFCM-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-chlorothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine 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-4,4,4-trifluorobutan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine (CID 62604452) is 1-(5-chlorothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine is CCNC(Cc1ccc(Cl)s1)CC(F)(F)F.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine?
The InChIKey is XUGSFZGAQJVFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3NS/c1-2-15-7(6-10(12,13)14)5-8-3-4-9(11)16-8/h3-4,7,15H,2,5-6H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine?
1-(5-chlorothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine has a molecular weight of 271.74 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 62604452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).