2,2,2-trifluoroethyl N-(1-thiophen-3-ylethyl)carbamate

C9H10F3NO2S — CID 65173850

IUPAC2,2,2-trifluoroethyl N-(1-thiophen-3-ylethyl)carbamate
SMILESCC(NC(=O)OCC(F)(F)F)c1ccsc1
InChIInChI=1S/C9H10F3NO2S/c1-6(7-2-3-16-4-7)13-8(14)15-5-9(10,11)12/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyYFBNFGXGHKEOLA-UHFFFAOYSA-N
MW253.25 g/mol
LogP3.10
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(1-thiophen-3-ylethyl)carbamate

2,2,2-trifluoroethyl N-(1-thiophen-3-ylethyl)carbamate (PubChem CID 65173850) has the molecular formula C9H10F3NO2S and a molecular weight of 253.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(1-thiophen-3-ylethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(1-thiophen-3-ylethyl)carbamate
PubChem CID65173850
Molecular FormulaC9H10F3NO2S
Molecular Weight253.25 g/mol
Exact Mass253.04
IUPAC Name2,2,2-trifluoroethyl N-(1-thiophen-3-ylethyl)carbamate
SMILESCC(NC(=O)OCC(F)(F)F)c1ccsc1
InChIInChI=1S/C9H10F3NO2S/c1-6(7-2-3-16-4-7)13-8(14)15-5-9(10,11)12/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyYFBNFGXGHKEOLA-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
Ethyl (2-(thiophen-3-yl)ethyl)carbamate
CID 49670241
2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate
CID 9450078
(R)-tert-butyl 2-fluoro-2 oxo-1-(thiophen-3-yl)ethylcarbamate
CID 57788121
tert-butyl N-(2-fluoro-2-oxo-1-thiophen-3-ylethyl)carbamate
CID 76605358
methyl N-[(1S)-2-methyl-1-thiophen-3-ylpropyl]carbamate
CID 16733729
N-[(1S)-1-thiophen-3-ylethyl]acetamide
CID 101866014
2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-(thiophen-2-yl)ethyl]carbamate
CID 45792050
2,2,2-trifluoroethyl N-(1-thiophen-2-ylethyl)carbamate
CID 47079438
2,2,2-trifluoroethyl N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamate
CID 51892947
2,2,2-trifluoroethyl N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamate
CID 51892949

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(1-thiophen-3-ylethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(1-thiophen-3-ylethyl)carbamate (CID 65173850) is 2,2,2-trifluoroethyl N-(1-thiophen-3-ylethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(1-thiophen-3-ylethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(1-thiophen-3-ylethyl)carbamate is CC(NC(=O)OCC(F)(F)F)c1ccsc1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(1-thiophen-3-ylethyl)carbamate?
The InChIKey is YFBNFGXGHKEOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-6(7-2-3-16-4-7)13-8(14)15-5-9(10,11)12/h2-4,6H,5H2,1H3,(H,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-(1-thiophen-3-ylethyl)carbamate?
2,2,2-trifluoroethyl N-(1-thiophen-3-ylethyl)carbamate has a molecular weight of 253.25 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(1-thiophen-3-ylethyl)carbamate is sourced from PubChem (CID 65173850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).