2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-propylcarbamate

C8H14F3NO3 — CID 61068655

IUPAC2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-propylcarbamate
SMILESCCCN(CCO)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-2-3-12(4-5-13)7(14)15-6-8(9,10)11/h13H,2-6H2,1H3
InChIKeyKOJRHKMCEPSZEO-UHFFFAOYSA-N
MW229.20 g/mol
LogP1.39
Rot. Bonds5

About 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-propylcarbamate

2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-propylcarbamate (PubChem CID 61068655) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-propylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-propylcarbamate
PubChem CID61068655
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-propylcarbamate
SMILESCCCN(CCO)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-2-3-12(4-5-13)7(14)15-6-8(9,10)11/h13H,2-6H2,1H3
InChIKeyKOJRHKMCEPSZEO-UHFFFAOYSA-N
XLogP1.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 51.39
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-(2-hydroxyethyl)-N-propylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-propylcarbamate (CID 61068655) is 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-propylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-propylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-propylcarbamate is CCCN(CCO)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-propylcarbamate?
The InChIKey is KOJRHKMCEPSZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-2-3-12(4-5-13)7(14)15-6-8(9,10)11/h13H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-propylcarbamate?
2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-propylcarbamate has a molecular weight of 229.20 g/mol, XLogP of 1.39, 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-(2-hydroxyethyl)-N-propylcarbamate is sourced from PubChem (CID 61068655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).