2,2,2-trifluoroethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate

C11H12F3NO2S — CID 65173720

IUPAC2,2,2-trifluoroethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCCC1c1ccsc1
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)7-17-10(16)15-4-1-2-9(15)8-3-5-18-6-8/h3,5-6,9H,1-2,4,7H2
InChIKeyCVDFXYHTQGSIJI-UHFFFAOYSA-N
MW279.28 g/mol
LogP3.58
Rot. Bonds2

About 2,2,2-trifluoroethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate

2,2,2-trifluoroethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate (PubChem CID 65173720) has the molecular formula C11H12F3NO2S and a molecular weight of 279.28 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate
PubChem CID65173720
Molecular FormulaC11H12F3NO2S
Molecular Weight279.28 g/mol
Exact Mass279.05
IUPAC Name2,2,2-trifluoroethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCCC1c1ccsc1
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)7-17-10(16)15-4-1-2-9(15)8-3-5-18-6-8/h3,5-6,9H,1-2,4,7H2
InChIKeyCVDFXYHTQGSIJI-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 45823782
2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate
CID 47082433
tert-butyl (2S)-2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 11064948
tert-butyl (2R)-2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 53469666
tert-butyl (2R)-4-methylidene-2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 131228499
3,3,3-Trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 51080962
2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 60705960
2,2,2-trifluoroethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 61897593
2,2,2-Trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 62491623
2,2,2-trifluoroethyl N-methyl-N-[(3-methylthiophen-2-yl)methyl]carbamate
CID 65168936
2,2,2-trifluoroethyl 4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 65173549
2,2,2-Trifluoroethyl 2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 65173581

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate (CID 65173720) is 2,2,2-trifluoroethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate is O=C(OCC(F)(F)F)N1CCCC1c1ccsc1.
What is the InChIKey of 2,2,2-trifluoroethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate?
The InChIKey is CVDFXYHTQGSIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2S/c12-11(13,14)7-17-10(16)15-4-1-2-9(15)8-3-5-18-6-8/h3,5-6,9H,1-2,4,7H2.
What are the key properties of 2,2,2-trifluoroethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate?
2,2,2-trifluoroethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate has a molecular weight of 279.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 65173720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).