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

C11H14F3NO2S — CID 64687363

IUPAC2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
SMILESCc1ccc(CC(C)NC(=O)OCC(F)(F)F)s1
InChIInChI=1S/C11H14F3NO2S/c1-7(5-9-4-3-8(2)18-9)15-10(16)17-6-11(12,13)14/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeyRADKIXJUWGVZOL-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.28
Rot. Bonds4

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

2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate (PubChem CID 64687363) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
PubChem CID64687363
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
SMILESCc1ccc(CC(C)NC(=O)OCC(F)(F)F)s1
InChIInChI=1S/C11H14F3NO2S/c1-7(5-9-4-3-8(2)18-9)15-10(16)17-6-11(12,13)14/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeyRADKIXJUWGVZOL-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.28
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)propan-2-yl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate (CID 64687363) is 2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate is Cc1ccc(CC(C)NC(=O)OCC(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate?
The InChIKey is RADKIXJUWGVZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-7(5-9-4-3-8(2)18-9)15-10(16)17-6-11(12,13)14/h3-4,7H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate?
2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate has a molecular weight of 281.30 g/mol, XLogP of 3.28, 4 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)propan-2-yl]carbamate is sourced from PubChem (CID 64687363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).