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

C7H12F3NO3 — CID 61068488

IUPAC2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate
SMILESCCOCCNC(=O)OCC(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-2-13-4-3-11-6(12)14-5-7(8,9)10/h2-5H2,1H3,(H,11,12)
InChIKeyLHLYMEWDBYAMNW-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.31
Rot. Bonds5

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

2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate (PubChem CID 61068488) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate
PubChem CID61068488
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate
SMILESCCOCCNC(=O)OCC(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-2-13-4-3-11-6(12)14-5-7(8,9)10/h2-5H2,1H3,(H,11,12)
InChIKeyLHLYMEWDBYAMNW-UHFFFAOYSA-N
XLogP1.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
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)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate
CID 104705190
2,2,2-trifluoroethyl N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]carbamate
CID 122162813
2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
CID 112683708
2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate
CID 60705940
2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate
CID 115595059
2,2,2-trifluoroethyl N-(4-methylpentyl)carbamate
CID 23060469
propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate
CID 116656095
2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate
CID 103918683
2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate
CID 103465110
2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate
CID 113230410
ethane;ethyl N-(2-propoxyethyl)carbamate
CID 167457488
tert-butyl N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]carbamate;molecular hydrogen
CID 177223683

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate (CID 61068488) is 2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate is CCOCCNC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate?
The InChIKey is LHLYMEWDBYAMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-2-13-4-3-11-6(12)14-5-7(8,9)10/h2-5H2,1H3,(H,11,12).
What are the key properties of 2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate?
2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate has a molecular weight of 215.17 g/mol, XLogP of 1.31, 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-ethoxyethyl)carbamate is sourced from PubChem (CID 61068488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).