2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)ethyl]carbamate

C10H12F3NO2S — CID 61356884

IUPAC2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)ethyl]carbamate
SMILESCc1ccc(C(C)NC(=O)OCC(F)(F)F)s1
InChIInChI=1S/C10H12F3NO2S/c1-6-3-4-8(17-6)7(2)14-9(15)16-5-10(11,12)13/h3-4,7H,5H2,1-2H3,(H,14,15)
InChIKeyUNGIYSONLWWRCG-UHFFFAOYSA-N
MW267.27 g/mol
LogP3.41
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)ethyl]carbamate

2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)ethyl]carbamate (PubChem CID 61356884) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)ethyl]carbamate
PubChem CID61356884
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)ethyl]carbamate
SMILESCc1ccc(C(C)NC(=O)OCC(F)(F)F)s1
InChIInChI=1S/C10H12F3NO2S/c1-6-3-4-8(17-6)7(2)14-9(15)16-5-10(11,12)13/h3-4,7H,5H2,1-2H3,(H,14,15)
InChIKeyUNGIYSONLWWRCG-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)ethyl]carbamate (CID 61356884) is 2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)ethyl]carbamate is Cc1ccc(C(C)NC(=O)OCC(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)ethyl]carbamate?
The InChIKey is UNGIYSONLWWRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-6-3-4-8(17-6)7(2)14-9(15)16-5-10(11,12)13/h3-4,7H,5H2,1-2H3,(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)ethyl]carbamate?
2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)ethyl]carbamate has a molecular weight of 267.27 g/mol, XLogP of 3.41, 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-(5-methylthiophen-2-yl)ethyl]carbamate is sourced from PubChem (CID 61356884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).