3,3,4,4,5,5-hexafluoro-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-methylcyclopentene

C13H18F6O3 — CID 176591350

IUPAC3,3,4,4,5,5-hexafluoro-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-methylcyclopentene
SMILESCOCC(C)OCC(C)OC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H18F6O3/c1-7(5-20-4)21-6-8(2)22-10-9(3)11(14,15)13(18,19)12(10,16)17/h7-8H,5-6H2,1-4H3
InChIKeyZBDHTXAWNLOPSK-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.64
Rot. Bonds7

About 3,3,4,4,5,5-hexafluoro-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-methylcyclopentene

3,3,4,4,5,5-hexafluoro-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-methylcyclopentene (PubChem CID 176591350) has the molecular formula C13H18F6O3 and a molecular weight of 336.27 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-methylcyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-methylcyclopentene
PubChem CID176591350
Molecular FormulaC13H18F6O3
Molecular Weight336.27 g/mol
Exact Mass336.12
IUPAC Name3,3,4,4,5,5-hexafluoro-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-methylcyclopentene
SMILESCOCC(C)OCC(C)OC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H18F6O3/c1-7(5-20-4)21-6-8(2)22-10-9(3)11(14,15)13(18,19)12(10,16)17/h7-8H,5-6H2,1-4H3
InChIKeyZBDHTXAWNLOPSK-UHFFFAOYSA-N
XLogP3.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4,5,5-hexafluoro-1-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene
CID 176591317
methane;1-methoxy-2-(2-methoxypropoxy)propane
CID 161499840
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-3-methylbutane
CID 140766822
2-(2-fluoroethoxy)-1-methoxypropane
CID 175717335
CID 162272100
CID 162272100
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-methoxy-2-(2-methoxypropoxy)propane;pentane
CID 118376955
1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-(2-methoxypropoxy)propane
CID 158788669
2-(chloromethoxy)-1-methoxypropane
CID 79529090
1-methoxy-2-(2-prop-1-ynoxypropoxy)propane
CID 89303603
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 140766817

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-methylcyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-methylcyclopentene (CID 176591350) is 3,3,4,4,5,5-hexafluoro-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-methylcyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-methylcyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-methylcyclopentene is COCC(C)OCC(C)OC1=C(C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-methylcyclopentene?
The InChIKey is ZBDHTXAWNLOPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F6O3/c1-7(5-20-4)21-6-8(2)22-10-9(3)11(14,15)13(18,19)12(10,16)17/h7-8H,5-6H2,1-4H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-methylcyclopentene?
3,3,4,4,5,5-hexafluoro-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-methylcyclopentene has a molecular weight of 336.27 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-methylcyclopentene is sourced from PubChem (CID 176591350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).