2,2,2-trifluoroethyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate

C11H14F3NO2S — CID 79487370

IUPAC2,2,2-trifluoroethyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate
SMILESCC(Cc1cccs1)N(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C11H14F3NO2S/c1-8(6-9-4-3-5-18-9)15(2)10(16)17-7-11(12,13)14/h3-5,8H,6-7H2,1-2H3
InChIKeyHCFTXJSVQDAWHM-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.31
Rot. Bonds4

About 2,2,2-trifluoroethyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate

2,2,2-trifluoroethyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate (PubChem CID 79487370) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate
PubChem CID79487370
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name2,2,2-trifluoroethyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate
SMILESCC(Cc1cccs1)N(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C11H14F3NO2S/c1-8(6-9-4-3-5-18-9)15(2)10(16)17-7-11(12,13)14/h3-5,8H,6-7H2,1-2H3
InChIKeyHCFTXJSVQDAWHM-UHFFFAOYSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate (CID 79487370) is 2,2,2-trifluoroethyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate is CC(Cc1cccs1)N(C)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate?
The InChIKey is HCFTXJSVQDAWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-8(6-9-4-3-5-18-9)15(2)10(16)17-7-11(12,13)14/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate?
2,2,2-trifluoroethyl N-methyl-N-(1-thiophen-2-ylpropan-2-yl)carbamate has a molecular weight of 281.30 g/mol, XLogP of 3.31, 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-(1-thiophen-2-ylpropan-2-yl)carbamate is sourced from PubChem (CID 79487370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).