1-(5-chlorothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one

C12H15ClF3NOS — CID 55010219

IUPAC1-(5-chlorothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one
SMILESCCCN(CC(F)(F)F)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H15ClF3NOS/c1-3-6-17(7-12(14,15)16)8(2)11(18)9-4-5-10(13)19-9/h4-5,8H,3,6-7H2,1-2H3
InChIKeyNZOJWZJDZRDEOA-UHFFFAOYSA-N
MW313.77 g/mol
LogP4.25
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one

1-(5-chlorothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one (PubChem CID 55010219) has the molecular formula C12H15ClF3NOS and a molecular weight of 313.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one
PubChem CID55010219
Molecular FormulaC12H15ClF3NOS
Molecular Weight313.77 g/mol
Exact Mass313.05
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one
SMILESCCCN(CC(F)(F)F)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H15ClF3NOS/c1-3-6-17(7-12(14,15)16)8(2)11(18)9-4-5-10(13)19-9/h4-5,8H,3,6-7H2,1-2H3
InChIKeyNZOJWZJDZRDEOA-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-chlorothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one 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)-2-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one (CID 55010219) is 1-(5-chlorothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one is CCCN(CC(F)(F)F)C(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one?
The InChIKey is NZOJWZJDZRDEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3NOS/c1-3-6-17(7-12(14,15)16)8(2)11(18)9-4-5-10(13)19-9/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one?
1-(5-chlorothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one has a molecular weight of 313.77 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one is sourced from PubChem (CID 55010219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).