3,3,4,4,5,5-hexafluoro-1-(3-methoxypropoxy)-2-methylcyclopentene

C10H12F6O2 — CID 176591344

IUPAC3,3,4,4,5,5-hexafluoro-1-(3-methoxypropoxy)-2-methylcyclopentene
SMILESCOCCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H12F6O2/c1-6-7(18-5-3-4-17-2)9(13,14)10(15,16)8(6,11)12/h3-5H2,1-2H3
InChIKeyPHSBYLUOSISRNV-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.23
Rot. Bonds5

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

3,3,4,4,5,5-hexafluoro-1-(3-methoxypropoxy)-2-methylcyclopentene (PubChem CID 176591344) has the molecular formula C10H12F6O2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-(3-methoxypropoxy)-2-methylcyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-(3-methoxypropoxy)-2-methylcyclopentene
PubChem CID176591344
Molecular FormulaC10H12F6O2
Molecular Weight278.19 g/mol
Exact Mass278.07
IUPAC Name3,3,4,4,5,5-hexafluoro-1-(3-methoxypropoxy)-2-methylcyclopentene
SMILESCOCCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H12F6O2/c1-6-7(18-5-3-4-17-2)9(13,14)10(15,16)8(6,11)12/h3-5H2,1-2H3
InChIKeyPHSBYLUOSISRNV-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 12869549
4-Ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran
CID 89041411
2,3-Bis(2,2,2-trifluoroethoxy)oct-2-ene
CID 141403805
1,3,3,4,4,5,5-Heptafluoro-2-hexoxycyclopentene
CID 158958315
1-Ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene
CID 167433160
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-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene
CID 176591317
3,3,4,4,5,5-Hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene
CID 176591325
3,3,4,4,5,5-Hexafluoro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene
CID 176591333
3,3,4,4,5,5-Hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene
CID 176591338
3,3,4,4,5,5-Hexafluoro-1-(2-methoxyethoxy)-2-methylcyclopentene
CID 176591340

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(3-methoxypropoxy)-2-methylcyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(3-methoxypropoxy)-2-methylcyclopentene (CID 176591344) is 3,3,4,4,5,5-hexafluoro-1-(3-methoxypropoxy)-2-methylcyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-(3-methoxypropoxy)-2-methylcyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-(3-methoxypropoxy)-2-methylcyclopentene is COCCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-(3-methoxypropoxy)-2-methylcyclopentene?
The InChIKey is PHSBYLUOSISRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6O2/c1-6-7(18-5-3-4-17-2)9(13,14)10(15,16)8(6,11)12/h3-5H2,1-2H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-(3-methoxypropoxy)-2-methylcyclopentene?
3,3,4,4,5,5-hexafluoro-1-(3-methoxypropoxy)-2-methylcyclopentene has a molecular weight of 278.19 g/mol, XLogP of 3.23, 5 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-(3-methoxypropoxy)-2-methylcyclopentene is sourced from PubChem (CID 176591344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).