1,3,3,4,4,5,5-heptafluoro-2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)cyclopentene

C11H3F13O — CID 10000896

IUPAC1,3,3,4,4,5,5-heptafluoro-2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)cyclopentene
SMILESCOC1=C(C2=C(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H3F13O/c1-25-5-3(7(15,16)11(23,24)9(5,19)20)2-4(12)8(17,18)10(21,22)6(2,13)14/h1H3
InChIKeyGMNRGCHYXTTYJD-UHFFFAOYSA-N
MW398.12 g/mol
LogP4.95
Rot. Bonds2

About 1,3,3,4,4,5,5-heptafluoro-2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)cyclopentene

1,3,3,4,4,5,5-heptafluoro-2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)cyclopentene (PubChem CID 10000896) has the molecular formula C11H3F13O and a molecular weight of 398.12 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)cyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)cyclopentene
PubChem CID10000896
Molecular FormulaC11H3F13O
Molecular Weight398.12 g/mol
Exact Mass398.00
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)cyclopentene
SMILESCOC1=C(C2=C(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H3F13O/c1-25-5-3(7(15,16)11(23,24)9(5,19)20)2-4(12)8(17,18)10(21,22)6(2,13)14/h1H3
InChIKeyGMNRGCHYXTTYJD-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.12
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxyperfluoro-2-ethylcyclohexene
CID 13586991
3,3,4,4-Tetrafluoro-1-methoxy-2-(3,3,4,4-tetrafluoro-2-methoxycyclobuten-1-yl)cyclobutene
CID 10018238
2,2'-Dimethoxy-3,3,3',3',4,4,4',4',5,5,5',5'-dodecafluoro-1,1'-bi(1-cyclopentene)
CID 10386828
3,3,4,4,5,5,6,6-Octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene
CID 15579289

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)cyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)cyclopentene (CID 10000896) is 1,3,3,4,4,5,5-heptafluoro-2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)cyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)cyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)cyclopentene is COC1=C(C2=C(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4,5,5-heptafluoro-2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)cyclopentene?
The InChIKey is GMNRGCHYXTTYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F13O/c1-25-5-3(7(15,16)11(23,24)9(5,19)20)2-4(12)8(17,18)10(21,22)6(2,13)14/h1H3.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)cyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)cyclopentene has a molecular weight of 398.12 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,5,5-heptafluoro-2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)cyclopentene is sourced from PubChem (CID 10000896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).