5,5,6,6,6-pentafluoro-2-(5,5,6,6,6-pentafluorohex-1-en-2-yloxy)hex-1-ene

C12H12F10O — CID 87940738

IUPAC5,5,6,6,6-pentafluoro-2-(5,5,6,6,6-pentafluorohex-1-en-2-yloxy)hex-1-ene
SMILESC=C(CCC(F)(F)C(F)(F)F)OC(=C)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C12H12F10O/c1-7(3-5-9(13,14)11(17,18)19)23-8(2)4-6-10(15,16)12(20,21)22/h1-6H2
InChIKeyAFDMNSKGDOCWQP-UHFFFAOYSA-N
MW362.21 g/mol
LogP5.99
Rot. Bonds8

About 5,5,6,6,6-pentafluoro-2-(5,5,6,6,6-pentafluorohex-1-en-2-yloxy)hex-1-ene

5,5,6,6,6-pentafluoro-2-(5,5,6,6,6-pentafluorohex-1-en-2-yloxy)hex-1-ene (PubChem CID 87940738) has the molecular formula C12H12F10O and a molecular weight of 362.21 g/mol. Its IUPAC name is 5,5,6,6,6-pentafluoro-2-(5,5,6,6,6-pentafluorohex-1-en-2-yloxy)hex-1-ene.

Molecular Properties

Compound Name5,5,6,6,6-pentafluoro-2-(5,5,6,6,6-pentafluorohex-1-en-2-yloxy)hex-1-ene
PubChem CID87940738
Molecular FormulaC12H12F10O
Molecular Weight362.21 g/mol
Exact Mass362.07
IUPAC Name5,5,6,6,6-pentafluoro-2-(5,5,6,6,6-pentafluorohex-1-en-2-yloxy)hex-1-ene
SMILESC=C(CCC(F)(F)C(F)(F)F)OC(=C)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C12H12F10O/c1-7(3-5-9(13,14)11(17,18)19)23-8(2)4-6-10(15,16)12(20,21)22/h1-6H2
InChIKeyAFDMNSKGDOCWQP-UHFFFAOYSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.21
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,6-pentafluoro-2-(5,5,6,6,6-pentafluorohex-1-en-2-yloxy)hex-1-ene?
The IUPAC name of 5,5,6,6,6-pentafluoro-2-(5,5,6,6,6-pentafluorohex-1-en-2-yloxy)hex-1-ene (CID 87940738) is 5,5,6,6,6-pentafluoro-2-(5,5,6,6,6-pentafluorohex-1-en-2-yloxy)hex-1-ene.
What is the SMILES notation for 5,5,6,6,6-pentafluoro-2-(5,5,6,6,6-pentafluorohex-1-en-2-yloxy)hex-1-ene?
The canonical SMILES for 5,5,6,6,6-pentafluoro-2-(5,5,6,6,6-pentafluorohex-1-en-2-yloxy)hex-1-ene is C=C(CCC(F)(F)C(F)(F)F)OC(=C)CCC(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,6-pentafluoro-2-(5,5,6,6,6-pentafluorohex-1-en-2-yloxy)hex-1-ene?
The InChIKey is AFDMNSKGDOCWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F10O/c1-7(3-5-9(13,14)11(17,18)19)23-8(2)4-6-10(15,16)12(20,21)22/h1-6H2.
What are the key properties of 5,5,6,6,6-pentafluoro-2-(5,5,6,6,6-pentafluorohex-1-en-2-yloxy)hex-1-ene?
5,5,6,6,6-pentafluoro-2-(5,5,6,6,6-pentafluorohex-1-en-2-yloxy)hex-1-ene has a molecular weight of 362.21 g/mol, XLogP of 5.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,6-pentafluoro-2-(5,5,6,6,6-pentafluorohex-1-en-2-yloxy)hex-1-ene is sourced from PubChem (CID 87940738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).