2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate

C11H15F3N2O2S — CID 47082433

IUPAC2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate
SMILESCN(C)C(CNC(=O)OCC(F)(F)F)c1ccsc1
InChIInChI=1S/C11H15F3N2O2S/c1-16(2)9(8-3-4-19-6-8)5-15-10(17)18-7-11(12,13)14/h3-4,6,9H,5,7H2,1-2H3,(H,15,17)
InChIKeyVAXMIQABVHULFE-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.64
Rot. Bonds5

About 2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate

2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate (PubChem CID 47082433) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate
PubChem CID47082433
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate
SMILESCN(C)C(CNC(=O)OCC(F)(F)F)c1ccsc1
InChIInChI=1S/C11H15F3N2O2S/c1-16(2)9(8-3-4-19-6-8)5-15-10(17)18-7-11(12,13)14/h3-4,6,9H,5,7H2,1-2H3,(H,15,17)
InChIKeyVAXMIQABVHULFE-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate 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 2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate (CID 47082433) is 2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate is CN(C)C(CNC(=O)OCC(F)(F)F)c1ccsc1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate?
The InChIKey is VAXMIQABVHULFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-16(2)9(8-3-4-19-6-8)5-15-10(17)18-7-11(12,13)14/h3-4,6,9H,5,7H2,1-2H3,(H,15,17).
What are the key properties of 2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate?
2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate has a molecular weight of 296.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate is sourced from PubChem (CID 47082433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).