6-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]hex-1-ene

C11H12F10O2 — CID 11682113

IUPAC6-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]hex-1-ene
SMILESC=CCCCCOC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F10O2/c1-2-3-4-5-6-22-8(13,14)7(12)23-11(20,21)9(15,16)10(17,18)19/h2,7H,1,3-6H2
InChIKeyGZZHRPBWYTZHNE-UHFFFAOYSA-N
MW366.20 g/mol
LogP5.05
Rot. Bonds10

About 6-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]hex-1-ene

6-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]hex-1-ene (PubChem CID 11682113) has the molecular formula C11H12F10O2 and a molecular weight of 366.20 g/mol. Its IUPAC name is 6-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]hex-1-ene.

Molecular Properties

Compound Name6-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]hex-1-ene
PubChem CID11682113
Molecular FormulaC11H12F10O2
Molecular Weight366.20 g/mol
Exact Mass366.07
IUPAC Name6-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]hex-1-ene
SMILESC=CCCCCOC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F10O2/c1-2-3-4-5-6-22-8(13,14)7(12)23-11(20,21)9(15,16)10(17,18)19/h2,7H,1,3-6H2
InChIKeyGZZHRPBWYTZHNE-UHFFFAOYSA-N
XLogP5.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.20
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]hex-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 6-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]hex-1-ene?
The IUPAC name of 6-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]hex-1-ene (CID 11682113) is 6-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]hex-1-ene.
What is the SMILES notation for 6-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]hex-1-ene?
The canonical SMILES for 6-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]hex-1-ene is C=CCCCCOC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 6-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]hex-1-ene?
The InChIKey is GZZHRPBWYTZHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F10O2/c1-2-3-4-5-6-22-8(13,14)7(12)23-11(20,21)9(15,16)10(17,18)19/h2,7H,1,3-6H2.
What are the key properties of 6-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]hex-1-ene?
6-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]hex-1-ene has a molecular weight of 366.20 g/mol, XLogP of 5.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]hex-1-ene is sourced from PubChem (CID 11682113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).