3,3,4,4,5,5-hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene

C14H20F6O2 — CID 176591338

IUPAC3,3,4,4,5,5-hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene
SMILESCOCCC(C)CCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H20F6O2/c1-9(6-8-21-3)5-4-7-22-11-10(2)12(15,16)14(19,20)13(11,17)18/h9H,4-8H2,1-3H3
InChIKeySGPVTTOGLKOPOR-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.65
Rot. Bonds8

About 3,3,4,4,5,5-hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene

3,3,4,4,5,5-hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene (PubChem CID 176591338) has the molecular formula C14H20F6O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene
PubChem CID176591338
Molecular FormulaC14H20F6O2
Molecular Weight334.30 g/mol
Exact Mass334.14
IUPAC Name3,3,4,4,5,5-hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene
SMILESCOCCC(C)CCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H20F6O2/c1-9(6-8-21-3)5-4-7-22-11-10(2)12(15,16)14(19,20)13(11,17)18/h9H,4-8H2,1-3H3
InChIKeySGPVTTOGLKOPOR-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.65
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

(Z)-1-Cyclohexyl-1-ethoxy-2,3,3,3-tetrafluoro-1-propene
CID 11791301
1-Methyl-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 12869549
5-ethyl-6-(3-fluoro-2-methylpropyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070312
4,4-Difluoro-5,6-di(propan-2-yl)-2,3-dihydropyran
CID 129266097
2,3-Bis(2,2,2-trifluoroethoxy)oct-2-ene
CID 141403805
5,5-Difluoro-4,4,6,7-tetramethyl-2,3-dihydrooxepine
CID 155002223
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-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene
CID 176591333
3,3,4,4,5,5-Hexafluoro-1-(2-methoxyethoxy)-2-methylcyclopentene
CID 176591340
3,3,4,4,5,5-Hexafluoro-1-(3-methoxypropoxy)-2-methylcyclopentene
CID 176591344

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene (CID 176591338) is 3,3,4,4,5,5-hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene is COCCC(C)CCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene?
The InChIKey is SGPVTTOGLKOPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6O2/c1-9(6-8-21-3)5-4-7-22-11-10(2)12(15,16)14(19,20)13(11,17)18/h9H,4-8H2,1-3H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene?
3,3,4,4,5,5-hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene has a molecular weight of 334.30 g/mol, XLogP of 4.65, 8 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-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene is sourced from PubChem (CID 176591338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).