2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate

C9H17F3N2O3 — CID 104705190

IUPAC2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate
SMILESCN(C)CCOCCNC(=O)OCC(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-14(2)4-6-16-5-3-13-8(15)17-7-9(10,11)12/h3-7H2,1-2H3,(H,13,15)
InChIKeyNWJNNRMHZFYSAA-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.85
Rot. Bonds7

About 2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate

2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate (PubChem CID 104705190) has the molecular formula C9H17F3N2O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate
PubChem CID104705190
Molecular FormulaC9H17F3N2O3
Molecular Weight258.24 g/mol
Exact Mass258.12
IUPAC Name2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate
SMILESCN(C)CCOCCNC(=O)OCC(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-14(2)4-6-16-5-3-13-8(15)17-7-9(10,11)12/h3-7H2,1-2H3,(H,13,15)
InChIKeyNWJNNRMHZFYSAA-UHFFFAOYSA-N
XLogP0.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]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

Choline, chloride, ethylcarbamate
CID 115898
2,2,2-trifluoroethyl N-(2-methoxyethyl)carbamate
CID 45792048
Ethyl 1-(2-(dimethylamino)ethoxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate
CID 383586
1,1-Dimethylethyl {2-[(2,2,2-trifluoroethyl)oxy]ethyl}carbamate
CID 59410866
ethyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate
CID 60728551
2-fluoroethyl N-(2-methoxyethyl)carbamate
CID 87169745
1,1,2,2,3-pentafluoropropyl N-(2-methoxyethyl)carbamate
CID 87169802
Tert-butyl (2-(2,2-difluoroethoxy)ethyl)carbamate
CID 103081912
methyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate
CID 115578253
2,2,3,3,3-pentafluoropropyl N-(2-methoxyethyl)carbamate
CID 141285831
1,1,2-trifluoroethyl N-(2-methoxyethyl)carbamate
CID 141619308
1-fluoroethyl N-(2-methoxyethyl)carbamate
CID 141619320

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate (CID 104705190) is 2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate is CN(C)CCOCCNC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate?
The InChIKey is NWJNNRMHZFYSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3/c1-14(2)4-6-16-5-3-13-8(15)17-7-9(10,11)12/h3-7H2,1-2H3,(H,13,15).
What are the key properties of 2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate?
2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate has a molecular weight of 258.24 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate is sourced from PubChem (CID 104705190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).