3-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-1-ene

C10H15F5O6 — CID 175147916

IUPAC3-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-1-ene
SMILESC=CCOC(OCF)(OCF)C(OCF)(OCF)OCF
InChIInChI=1S/C10H15F5O6/c1-2-3-16-9(17-4-11,18-5-12)10(19-6-13,20-7-14)21-8-15/h2H,1,3-8H2
InChIKeyDZAAEJCWCLXXAN-UHFFFAOYSA-N
MW326.21 g/mol
LogP2.21
Rot. Bonds14

About 3-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-1-ene

3-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-1-ene (PubChem CID 175147916) has the molecular formula C10H15F5O6 and a molecular weight of 326.21 g/mol. Its IUPAC name is 3-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-1-ene.

Molecular Properties

Compound Name3-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-1-ene
PubChem CID175147916
Molecular FormulaC10H15F5O6
Molecular Weight326.21 g/mol
Exact Mass326.08
IUPAC Name3-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-1-ene
SMILESC=CCOC(OCF)(OCF)C(OCF)(OCF)OCF
InChIInChI=1S/C10H15F5O6/c1-2-3-16-9(17-4-11,18-5-12)10(19-6-13,20-7-14)21-8-15/h2H,1,3-8H2
InChIKeyDZAAEJCWCLXXAN-UHFFFAOYSA-N
XLogP2.21
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-1-ene 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-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-1-ene?
The IUPAC name of 3-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-1-ene (CID 175147916) is 3-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-1-ene.
What is the SMILES notation for 3-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-1-ene?
The canonical SMILES for 3-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-1-ene is C=CCOC(OCF)(OCF)C(OCF)(OCF)OCF.
What is the InChIKey of 3-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-1-ene?
The InChIKey is DZAAEJCWCLXXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5O6/c1-2-3-16-9(17-4-11,18-5-12)10(19-6-13,20-7-14)21-8-15/h2H,1,3-8H2.
What are the key properties of 3-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-1-ene?
3-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-1-ene has a molecular weight of 326.21 g/mol, XLogP of 2.21, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-1-ene is sourced from PubChem (CID 175147916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).