ethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate

C7H12F3NO3 — CID 64593195

IUPACethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESCCOC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-2-14-6(13)11(3-4-12)5-7(8,9)10/h12H,2-5H2,1H3
InChIKeyVSBYXGHDCQGUQI-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.00
Rot. Bonds4

About ethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate

ethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 64593195) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is ethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID64593195
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Nameethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESCCOC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-2-14-6(13)11(3-4-12)5-7(8,9)10/h12H,2-5H2,1H3
InChIKeyVSBYXGHDCQGUQI-UHFFFAOYSA-N
XLogP1.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of ethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate (CID 64593195) is ethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for ethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for ethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate is CCOC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of ethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is VSBYXGHDCQGUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-2-14-6(13)11(3-4-12)5-7(8,9)10/h12H,2-5H2,1H3.
What are the key properties of ethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
ethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 215.17 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 64593195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).