[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl] carbamate

C11H12F3NO4 — CID 122513597

IUPAC[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl] carbamate
SMILESCOCC(OC(N)=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO4/c1-17-6-9(18-10(15)16)7-2-4-8(5-3-7)19-11(12,13)14/h2-5,9H,6H2,1H3,(H2,15,16)
InChIKeyWNISQOCCLSDTCT-UHFFFAOYSA-N
MW279.21 g/mol
LogP2.37
Rot. Bonds5

About [2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl] carbamate

[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl] carbamate (PubChem CID 122513597) has the molecular formula C11H12F3NO4 and a molecular weight of 279.21 g/mol. Its IUPAC name is [2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl] carbamate.

Molecular Properties

Compound Name[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl] carbamate
PubChem CID122513597
Molecular FormulaC11H12F3NO4
Molecular Weight279.21 g/mol
Exact Mass279.07
IUPAC Name[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl] carbamate
SMILESCOCC(OC(N)=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO4/c1-17-6-9(18-10(15)16)7-2-4-8(5-3-7)19-11(12,13)14/h2-5,9H,6H2,1H3,(H2,15,16)
InChIKeyWNISQOCCLSDTCT-UHFFFAOYSA-N
XLogP2.37
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-methoxy-1-[4-(trifluoromethoxy)phenyl]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

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl] carbamate?
The IUPAC name of [2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl] carbamate (CID 122513597) is [2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl] carbamate.
What is the SMILES notation for [2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl] carbamate?
The canonical SMILES for [2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl] carbamate is COCC(OC(N)=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl] carbamate?
The InChIKey is WNISQOCCLSDTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO4/c1-17-6-9(18-10(15)16)7-2-4-8(5-3-7)19-11(12,13)14/h2-5,9H,6H2,1H3,(H2,15,16).
What are the key properties of [2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl] carbamate?
[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl] carbamate has a molecular weight of 279.21 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl] carbamate is sourced from PubChem (CID 122513597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).