3-ethyl-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxetane

C12H11F5O2 — CID 58895064

IUPAC3-ethyl-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxetane
SMILESCCC1(COc2c(F)c(F)c(F)c(F)c2F)COC1
InChIInChI=1S/C12H11F5O2/c1-2-12(3-18-4-12)5-19-11-9(16)7(14)6(13)8(15)10(11)17/h2-5H2,1H3
InChIKeyZVUFMPQHQIAWNY-UHFFFAOYSA-N
MW282.21 g/mol
LogP3.19
Rot. Bonds4

About 3-ethyl-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxetane

3-ethyl-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxetane (PubChem CID 58895064) has the molecular formula C12H11F5O2 and a molecular weight of 282.21 g/mol. Its IUPAC name is 3-ethyl-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxetane
PubChem CID58895064
Molecular FormulaC12H11F5O2
Molecular Weight282.21 g/mol
Exact Mass282.07
IUPAC Name3-ethyl-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxetane
SMILESCCC1(COc2c(F)c(F)c(F)c(F)c2F)COC1
InChIInChI=1S/C12H11F5O2/c1-2-12(3-18-4-12)5-19-11-9(16)7(14)6(13)8(15)10(11)17/h2-5H2,1H3
InChIKeyZVUFMPQHQIAWNY-UHFFFAOYSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-ethyl-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxetane 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 3-ethyl-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxetane?
The IUPAC name of 3-ethyl-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxetane (CID 58895064) is 3-ethyl-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxetane?
The canonical SMILES for 3-ethyl-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxetane is CCC1(COc2c(F)c(F)c(F)c(F)c2F)COC1.
What is the InChIKey of 3-ethyl-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxetane?
The InChIKey is ZVUFMPQHQIAWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5O2/c1-2-12(3-18-4-12)5-19-11-9(16)7(14)6(13)8(15)10(11)17/h2-5H2,1H3.
What are the key properties of 3-ethyl-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxetane?
3-ethyl-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxetane has a molecular weight of 282.21 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxetane is sourced from PubChem (CID 58895064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).