2,2,2-trifluoroethyl N-(1-thiophen-2-ylbutyl)carbamate

C11H14F3NO2S — CID 61382632

IUPAC2,2,2-trifluoroethyl N-(1-thiophen-2-ylbutyl)carbamate
SMILESCCCC(NC(=O)OCC(F)(F)F)c1cccs1
InChIInChI=1S/C11H14F3NO2S/c1-2-4-8(9-5-3-6-18-9)15-10(16)17-7-11(12,13)14/h3,5-6,8H,2,4,7H2,1H3,(H,15,16)
InChIKeyPDIMVSQLHYSCFG-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.88
Rot. Bonds5

About 2,2,2-trifluoroethyl N-(1-thiophen-2-ylbutyl)carbamate

2,2,2-trifluoroethyl N-(1-thiophen-2-ylbutyl)carbamate (PubChem CID 61382632) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(1-thiophen-2-ylbutyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(1-thiophen-2-ylbutyl)carbamate
PubChem CID61382632
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name2,2,2-trifluoroethyl N-(1-thiophen-2-ylbutyl)carbamate
SMILESCCCC(NC(=O)OCC(F)(F)F)c1cccs1
InChIInChI=1S/C11H14F3NO2S/c1-2-4-8(9-5-3-6-18-9)15-10(16)17-7-11(12,13)14/h3,5-6,8H,2,4,7H2,1H3,(H,15,16)
InChIKeyPDIMVSQLHYSCFG-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.88
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-thiophen-2-ylbutyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(1-thiophen-2-ylbutyl)carbamate (CID 61382632) is 2,2,2-trifluoroethyl N-(1-thiophen-2-ylbutyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(1-thiophen-2-ylbutyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(1-thiophen-2-ylbutyl)carbamate is CCCC(NC(=O)OCC(F)(F)F)c1cccs1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(1-thiophen-2-ylbutyl)carbamate?
The InChIKey is PDIMVSQLHYSCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-2-4-8(9-5-3-6-18-9)15-10(16)17-7-11(12,13)14/h3,5-6,8H,2,4,7H2,1H3,(H,15,16).
What are the key properties of 2,2,2-trifluoroethyl N-(1-thiophen-2-ylbutyl)carbamate?
2,2,2-trifluoroethyl N-(1-thiophen-2-ylbutyl)carbamate has a molecular weight of 281.30 g/mol, XLogP of 3.88, 5 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-2-ylbutyl)carbamate is sourced from PubChem (CID 61382632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).