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

C11H15F3N2O2S — CID 51892947

IUPAC2,2,2-trifluoroethyl N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamate
SMILESCN(C)[C@@H](CNC(=O)OCC(F)(F)F)c1cccs1
InChIInChI=1S/C11H15F3N2O2S/c1-16(2)8(9-4-3-5-19-9)6-15-10(17)18-7-11(12,13)14/h3-5,8H,6-7H2,1-2H3,(H,15,17)/t8-/m0/s1
InChIKeyYJKNLRWUWVTTNY-QMMMGPOBSA-N
MW296.31 g/mol
LogP2.64
Rot. Bonds5

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

2,2,2-trifluoroethyl N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamate (PubChem CID 51892947) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamate
PubChem CID51892947
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name2,2,2-trifluoroethyl N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamate
SMILESCN(C)[C@@H](CNC(=O)OCC(F)(F)F)c1cccs1
InChIInChI=1S/C11H15F3N2O2S/c1-16(2)8(9-4-3-5-19-9)6-15-10(17)18-7-11(12,13)14/h3-5,8H,6-7H2,1-2H3,(H,15,17)/t8-/m0/s1
InChIKeyYJKNLRWUWVTTNY-QMMMGPOBSA-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

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Related Compounds

Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 5177104
Tert-butyl (1-(thiophen-2-ylmethyl)piperidin-3-yl)carbamate
CID 46785877
2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate
CID 47082433
2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate
CID 71685648
tert-butyl N-[(3R)-3-amino-3-(thiophen-2-yl)propyl]-N-methylcarbamate
CID 155970858
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate
CID 9450078
ethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate
CID 38402878
ethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate
CID 47030891
ethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 47030894
methyl N-methyl-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]carbamate
CID 93619531

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamate (CID 51892947) is 2,2,2-trifluoroethyl N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamate is CN(C)[C@@H](CNC(=O)OCC(F)(F)F)c1cccs1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamate?
The InChIKey is YJKNLRWUWVTTNY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-16(2)8(9-4-3-5-19-9)6-15-10(17)18-7-11(12,13)14/h3-5,8H,6-7H2,1-2H3,(H,15,17)/t8-/m0/s1.
What are the key properties of 2,2,2-trifluoroethyl N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamate?
2,2,2-trifluoroethyl N-[(2S)-2-(dimethylamino)-2-thiophen-2-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-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamate is sourced from PubChem (CID 51892947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).