[2-(trifluoromethyl)phenyl] N-ethyl-N-methylcarbamate

C11H12F3NO2 — CID 171662520

IUPAC[2-(trifluoromethyl)phenyl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-3-15(2)10(16)17-9-7-5-4-6-8(9)11(12,13)14/h4-7H,3H2,1-2H3
InChIKeyICWXIGBMTLCGPW-UHFFFAOYSA-N
MW247.22 g/mol
LogP3.16
Rot. Bonds2

About [2-(trifluoromethyl)phenyl] N-ethyl-N-methylcarbamate

[2-(trifluoromethyl)phenyl] N-ethyl-N-methylcarbamate (PubChem CID 171662520) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is [2-(trifluoromethyl)phenyl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[2-(trifluoromethyl)phenyl] N-ethyl-N-methylcarbamate
PubChem CID171662520
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name[2-(trifluoromethyl)phenyl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-3-15(2)10(16)17-9-7-5-4-6-8(9)11(12,13)14/h4-7H,3H2,1-2H3
InChIKeyICWXIGBMTLCGPW-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [2-(trifluoromethyl)phenyl] N-ethyl-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-(trifluoromethyl)phenyl] N-ethyl-N-methylcarbamate?
The IUPAC name of [2-(trifluoromethyl)phenyl] N-ethyl-N-methylcarbamate (CID 171662520) is [2-(trifluoromethyl)phenyl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [2-(trifluoromethyl)phenyl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [2-(trifluoromethyl)phenyl] N-ethyl-N-methylcarbamate is CCN(C)C(=O)Oc1ccccc1C(F)(F)F.
What is the InChIKey of [2-(trifluoromethyl)phenyl] N-ethyl-N-methylcarbamate?
The InChIKey is ICWXIGBMTLCGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-3-15(2)10(16)17-9-7-5-4-6-8(9)11(12,13)14/h4-7H,3H2,1-2H3.
What are the key properties of [2-(trifluoromethyl)phenyl] N-ethyl-N-methylcarbamate?
[2-(trifluoromethyl)phenyl] N-ethyl-N-methylcarbamate has a molecular weight of 247.22 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)phenyl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 171662520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).