2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate

C8H14F3NO3 — CID 81073715

IUPAC2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate
SMILESCCOCCN(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-3-14-5-4-12(2)7(13)15-6-8(9,10)11/h3-6H2,1-2H3
InChIKeyNVDPAKYVPSFTFB-UHFFFAOYSA-N
MW229.20 g/mol
LogP1.65
Rot. Bonds5

About 2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate

2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate (PubChem CID 81073715) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate
PubChem CID81073715
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate
SMILESCCOCCN(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-3-14-5-4-12(2)7(13)15-6-8(9,10)11/h3-6H2,1-2H3
InChIKeyNVDPAKYVPSFTFB-UHFFFAOYSA-N
XLogP1.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate 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 2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate (CID 81073715) is 2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate is CCOCCN(C)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate?
The InChIKey is NVDPAKYVPSFTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-3-14-5-4-12(2)7(13)15-6-8(9,10)11/h3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate?
2,2,2-trifluoroethyl N-(2-ethoxyethyl)-N-methylcarbamate has a molecular weight of 229.20 g/mol, XLogP of 1.65, 5 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-(2-ethoxyethyl)-N-methylcarbamate is sourced from PubChem (CID 81073715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).