ethyl N-(2,2,3,3,4,4,5,5-octafluoro-1-imidazol-1-ylpentyl)carbamate

C11H11F8N3O2 — CID 3626184

IUPACethyl N-(2,2,3,3,4,4,5,5-octafluoro-1-imidazol-1-ylpentyl)carbamate
SMILESCCOC(=O)NC(n1ccnc1)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H11F8N3O2/c1-2-24-8(23)21-7(22-4-3-20-5-22)10(16,17)11(18,19)9(14,15)6(12)13/h3-7H,2H2,1H3,(H,21,23)
InChIKeyVHEQBFDSJUEERM-UHFFFAOYSA-N
MW369.21 g/mol
LogP3.30
Rot. Bonds7

About ethyl N-(2,2,3,3,4,4,5,5-octafluoro-1-imidazol-1-ylpentyl)carbamate

ethyl N-(2,2,3,3,4,4,5,5-octafluoro-1-imidazol-1-ylpentyl)carbamate (PubChem CID 3626184) has the molecular formula C11H11F8N3O2 and a molecular weight of 369.21 g/mol. Its IUPAC name is ethyl N-(2,2,3,3,4,4,5,5-octafluoro-1-imidazol-1-ylpentyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2,2,3,3,4,4,5,5-octafluoro-1-imidazol-1-ylpentyl)carbamate
PubChem CID3626184
Molecular FormulaC11H11F8N3O2
Molecular Weight369.21 g/mol
Exact Mass369.07
IUPAC Nameethyl N-(2,2,3,3,4,4,5,5-octafluoro-1-imidazol-1-ylpentyl)carbamate
SMILESCCOC(=O)NC(n1ccnc1)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H11F8N3O2/c1-2-24-8(23)21-7(22-4-3-20-5-22)10(16,17)11(18,19)9(14,15)6(12)13/h3-7H,2H2,1H3,(H,21,23)
InChIKeyVHEQBFDSJUEERM-UHFFFAOYSA-N
XLogP3.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl N-(2,2,3,3,4,4,5,5-octafluoro-1-imidazol-1-ylpentyl)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-(2,2,3,3,4,4,5,5-octafluoro-1-imidazol-1-ylpentyl)carbamate?
The IUPAC name of ethyl N-(2,2,3,3,4,4,5,5-octafluoro-1-imidazol-1-ylpentyl)carbamate (CID 3626184) is ethyl N-(2,2,3,3,4,4,5,5-octafluoro-1-imidazol-1-ylpentyl)carbamate.
What is the SMILES notation for ethyl N-(2,2,3,3,4,4,5,5-octafluoro-1-imidazol-1-ylpentyl)carbamate?
The canonical SMILES for ethyl N-(2,2,3,3,4,4,5,5-octafluoro-1-imidazol-1-ylpentyl)carbamate is CCOC(=O)NC(n1ccnc1)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of ethyl N-(2,2,3,3,4,4,5,5-octafluoro-1-imidazol-1-ylpentyl)carbamate?
The InChIKey is VHEQBFDSJUEERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F8N3O2/c1-2-24-8(23)21-7(22-4-3-20-5-22)10(16,17)11(18,19)9(14,15)6(12)13/h3-7H,2H2,1H3,(H,21,23).
What are the key properties of ethyl N-(2,2,3,3,4,4,5,5-octafluoro-1-imidazol-1-ylpentyl)carbamate?
ethyl N-(2,2,3,3,4,4,5,5-octafluoro-1-imidazol-1-ylpentyl)carbamate has a molecular weight of 369.21 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,2,3,3,4,4,5,5-octafluoro-1-imidazol-1-ylpentyl)carbamate is sourced from PubChem (CID 3626184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).