2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate

C8H8F3NO2S — CID 9450078

IUPAC2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate
SMILESO=C(NCc1cccs1)OCC(F)(F)F
InChIInChI=1S/C8H8F3NO2S/c9-8(10,11)5-14-7(13)12-4-6-2-1-3-15-6/h1-3H,4-5H2,(H,12,13)
InChIKeyKHRKYZKALYFWNH-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.54
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate

2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate (PubChem CID 9450078) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate
PubChem CID9450078
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Name2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate
SMILESO=C(NCc1cccs1)OCC(F)(F)F
InChIInChI=1S/C8H8F3NO2S/c9-8(10,11)5-14-7(13)12-4-6-2-1-3-15-6/h1-3H,4-5H2,(H,12,13)
InChIKeyKHRKYZKALYFWNH-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
Carbamic acid, 2-thenyl-, 2-hydroxyethyl ester
CID 57422
N-(thiophen-2-ylmethyl)formamide
CID 21017864
ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate
CID 2824600
N1-(thiophen-2-ylmethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45584453
3,3,3-trifluoro-N-(thiophen-2-ylmethyl)propanamide
CID 45808089
ethyl N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 47030894
2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 3327556
2,2,2-trifluoroethyl N-[2-(thiophen-2-yl)ethyl]carbamate
CID 45792051
2,2,2-trifluoro-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 62727313
3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 68416075
(3-Fluorothiophen-2-yl)methylcarbamic acid
CID 130345143

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate (CID 9450078) is 2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate is O=C(NCc1cccs1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate?
The InChIKey is KHRKYZKALYFWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c9-8(10,11)5-14-7(13)12-4-6-2-1-3-15-6/h1-3H,4-5H2,(H,12,13).
What are the key properties of 2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate?
2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate has a molecular weight of 239.22 g/mol, XLogP of 2.54, 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-(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 9450078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).