3,3,4,4,5,5-hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene

C13H18F6O2 — CID 176591317

IUPAC3,3,4,4,5,5-hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene
SMILESCOCCC(C)CCOC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H18F6O2/c1-8(4-6-20-3)5-7-21-10-9(2)11(14,15)13(18,19)12(10,16)17/h8H,4-7H2,1-3H3
InChIKeyKWSAVMHIQCMZRD-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.26
Rot. Bonds7

About 3,3,4,4,5,5-hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene

3,3,4,4,5,5-hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene (PubChem CID 176591317) has the molecular formula C13H18F6O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene
PubChem CID176591317
Molecular FormulaC13H18F6O2
Molecular Weight320.27 g/mol
Exact Mass320.12
IUPAC Name3,3,4,4,5,5-hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene
SMILESCOCCC(C)CCOC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H18F6O2/c1-8(4-6-20-3)5-7-21-10-9(2)11(14,15)13(18,19)12(10,16)17/h8H,4-7H2,1-3H3
InChIKeyKWSAVMHIQCMZRD-UHFFFAOYSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,4,4,5,5-hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,4,4,5,5-Hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene
CID 176591312
3,3,4,4,5,5-Hexafluoro-1-(4-methoxybutoxy)-2-methylcyclopentene
CID 176591313
3,3,4,4,5,5-Hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene
CID 176591338
3,3,4,4,5,5-Hexafluoro-1-(3-methoxypropoxy)-2-methylcyclopentene
CID 176591344
3,3,4,4,5,5-Hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene
CID 176591345
3,3,4,4,5,5-Hexafluoro-1-(5-methoxypentoxy)-2-methylcyclopentene
CID 176591355

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene (CID 176591317) is 3,3,4,4,5,5-hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene is COCCC(C)CCOC1=C(C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene?
The InChIKey is KWSAVMHIQCMZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F6O2/c1-8(4-6-20-3)5-7-21-10-9(2)11(14,15)13(18,19)12(10,16)17/h8H,4-7H2,1-3H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene?
3,3,4,4,5,5-hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene has a molecular weight of 320.27 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene is sourced from PubChem (CID 176591317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).