ethyl N-(1,2,2,2-tetrafluoroethylidene)carbamate

C5H5F4NO2 — CID 173050866

IUPACethyl N-(1,2,2,2-tetrafluoroethylidene)carbamate
SMILESCCOC(=O)N=C(F)C(F)(F)F
InChIInChI=1S/C5H5F4NO2/c1-2-12-4(11)10-3(6)5(7,8)9/h2H2,1H3
InChIKeyZOOAWAYAPGAECI-UHFFFAOYSA-N
MW187.09 g/mol
LogP2.07
Rot. Bonds1

About ethyl N-(1,2,2,2-tetrafluoroethylidene)carbamate

ethyl N-(1,2,2,2-tetrafluoroethylidene)carbamate (PubChem CID 173050866) has the molecular formula C5H5F4NO2 and a molecular weight of 187.09 g/mol. Its IUPAC name is ethyl N-(1,2,2,2-tetrafluoroethylidene)carbamate.

Molecular Properties

Compound Nameethyl N-(1,2,2,2-tetrafluoroethylidene)carbamate
PubChem CID173050866
Molecular FormulaC5H5F4NO2
Molecular Weight187.09 g/mol
Exact Mass187.03
IUPAC Nameethyl N-(1,2,2,2-tetrafluoroethylidene)carbamate
SMILESCCOC(=O)N=C(F)C(F)(F)F
InChIInChI=1S/C5H5F4NO2/c1-2-12-4(11)10-3(6)5(7,8)9/h2H2,1H3
InChIKeyZOOAWAYAPGAECI-UHFFFAOYSA-N
XLogP2.07
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.09
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethyl N-(1,2,2,2-tetrafluoroethylidene)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 ethyl N-(1,2,2,2-tetrafluoroethylidene)carbamate?
The IUPAC name of ethyl N-(1,2,2,2-tetrafluoroethylidene)carbamate (CID 173050866) is ethyl N-(1,2,2,2-tetrafluoroethylidene)carbamate.
What is the SMILES notation for ethyl N-(1,2,2,2-tetrafluoroethylidene)carbamate?
The canonical SMILES for ethyl N-(1,2,2,2-tetrafluoroethylidene)carbamate is CCOC(=O)N=C(F)C(F)(F)F.
What is the InChIKey of ethyl N-(1,2,2,2-tetrafluoroethylidene)carbamate?
The InChIKey is ZOOAWAYAPGAECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F4NO2/c1-2-12-4(11)10-3(6)5(7,8)9/h2H2,1H3.
What are the key properties of ethyl N-(1,2,2,2-tetrafluoroethylidene)carbamate?
ethyl N-(1,2,2,2-tetrafluoroethylidene)carbamate has a molecular weight of 187.09 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1,2,2,2-tetrafluoroethylidene)carbamate is sourced from PubChem (CID 173050866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).