1,3,3,4,4,5,5-heptafluoro-2-[2,2,3,3-tetrafluoro-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybutoxy]cyclopentene

C14H4F18O2 — CID 134238175

IUPAC1,3,3,4,4,5,5-heptafluoro-2-[2,2,3,3-tetrafluoro-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybutoxy]cyclopentene
SMILESFC1=C(OCC(F)(F)C(F)(F)COC2=C(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H4F18O2/c15-3-5(11(25,26)13(29,30)9(3,21)22)33-1-7(17,18)8(19,20)2-34-6-4(16)10(23,24)14(31,32)12(6,27)28/h1-2H2
InChIKeyMRFSVRZNFMDEQL-UHFFFAOYSA-N
MW546.15 g/mol
LogP6.49
Rot. Bonds7

About 1,3,3,4,4,5,5-heptafluoro-2-[2,2,3,3-tetrafluoro-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybutoxy]cyclopentene

1,3,3,4,4,5,5-heptafluoro-2-[2,2,3,3-tetrafluoro-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybutoxy]cyclopentene (PubChem CID 134238175) has the molecular formula C14H4F18O2 and a molecular weight of 546.15 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-[2,2,3,3-tetrafluoro-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybutoxy]cyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-[2,2,3,3-tetrafluoro-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybutoxy]cyclopentene
PubChem CID134238175
Molecular FormulaC14H4F18O2
Molecular Weight546.15 g/mol
Exact Mass545.99
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-[2,2,3,3-tetrafluoro-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybutoxy]cyclopentene
SMILESFC1=C(OCC(F)(F)C(F)(F)COC2=C(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H4F18O2/c15-3-5(11(25,26)13(29,30)9(3,21)22)33-1-7(17,18)8(19,20)2-34-6-4(16)10(23,24)14(31,32)12(6,27)28/h1-2H2
InChIKeyMRFSVRZNFMDEQL-UHFFFAOYSA-N
XLogP6.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.15
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-[2,2,3,3-tetrafluoro-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybutoxy]cyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-[2,2,3,3-tetrafluoro-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybutoxy]cyclopentene (CID 134238175) is 1,3,3,4,4,5,5-heptafluoro-2-[2,2,3,3-tetrafluoro-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybutoxy]cyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-[2,2,3,3-tetrafluoro-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybutoxy]cyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-[2,2,3,3-tetrafluoro-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybutoxy]cyclopentene is FC1=C(OCC(F)(F)C(F)(F)COC2=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-[2,2,3,3-tetrafluoro-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybutoxy]cyclopentene?
The InChIKey is MRFSVRZNFMDEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F18O2/c15-3-5(11(25,26)13(29,30)9(3,21)22)33-1-7(17,18)8(19,20)2-34-6-4(16)10(23,24)14(31,32)12(6,27)28/h1-2H2.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-[2,2,3,3-tetrafluoro-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybutoxy]cyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-[2,2,3,3-tetrafluoro-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybutoxy]cyclopentene has a molecular weight of 546.15 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,5,5-heptafluoro-2-[2,2,3,3-tetrafluoro-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybutoxy]cyclopentene is sourced from PubChem (CID 134238175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).