2,2,2-trifluoroethyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate

C10H12F3NO2S — CID 79039712

IUPAC2,2,2-trifluoroethyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate
SMILESCN(CCc1cccs1)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-14(5-4-8-3-2-6-17-8)9(15)16-7-10(11,12)13/h2-3,6H,4-5,7H2,1H3
InChIKeyKRBGBFIVIXKANH-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.92
Rot. Bonds4

About 2,2,2-trifluoroethyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate

2,2,2-trifluoroethyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate (PubChem CID 79039712) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate
PubChem CID79039712
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2,2,2-trifluoroethyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate
SMILESCN(CCc1cccs1)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-14(5-4-8-3-2-6-17-8)9(15)16-7-10(11,12)13/h2-3,6H,4-5,7H2,1H3
InChIKeyKRBGBFIVIXKANH-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 90632758
Methyl 7-thiophen-2-yl-1,4-thiazepane-4-carboxylate
CID 155511200
Ethyl 1-oxo-7-thiophen-2-yl-1,4-thiazepane-4-carboxylate
CID 155549741
ethyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 100042081
methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 145714287
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate
CID 9450078
2,2-difluoro-N,N-bis(2-methoxyethyl)-2-thiophen-2-ylacetamide
CID 10946296
N,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide
CID 11806571
2,2,2aTrifluoroaNamethylaNa[1a(thiophena2ayl)propana2ayl]acetamide
CID 79487463
2,2,3,3,3-pentafluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 108095312

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate (CID 79039712) is 2,2,2-trifluoroethyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate is CN(CCc1cccs1)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate?
The InChIKey is KRBGBFIVIXKANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-14(5-4-8-3-2-6-17-8)9(15)16-7-10(11,12)13/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate?
2,2,2-trifluoroethyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate has a molecular weight of 267.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-methyl-N-(2-thiophen-2-ylethyl)carbamate is sourced from PubChem (CID 79039712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).