5,5,6,6-tetrafluoro-6-(1,1,2,2-tetrafluorohex-5-enoxy)hex-1-ene

C12H14F8O — CID 87256276

IUPAC5,5,6,6-tetrafluoro-6-(1,1,2,2-tetrafluorohex-5-enoxy)hex-1-ene
SMILESC=CCCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCC=C
InChIInChI=1S/C12H14F8O/c1-3-5-7-9(13,14)11(17,18)21-12(19,20)10(15,16)8-6-4-2/h3-4H,1-2,5-8H2
InChIKeyAHDSLNQKIVBSLQ-UHFFFAOYSA-N
MW326.23 g/mol
LogP5.39
Rot. Bonds10

About 5,5,6,6-tetrafluoro-6-(1,1,2,2-tetrafluorohex-5-enoxy)hex-1-ene

5,5,6,6-tetrafluoro-6-(1,1,2,2-tetrafluorohex-5-enoxy)hex-1-ene (PubChem CID 87256276) has the molecular formula C12H14F8O and a molecular weight of 326.23 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-6-(1,1,2,2-tetrafluorohex-5-enoxy)hex-1-ene.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-6-(1,1,2,2-tetrafluorohex-5-enoxy)hex-1-ene
PubChem CID87256276
Molecular FormulaC12H14F8O
Molecular Weight326.23 g/mol
Exact Mass326.09
IUPAC Name5,5,6,6-tetrafluoro-6-(1,1,2,2-tetrafluorohex-5-enoxy)hex-1-ene
SMILESC=CCCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCC=C
InChIInChI=1S/C12H14F8O/c1-3-5-7-9(13,14)11(17,18)21-12(19,20)10(15,16)8-6-4-2/h3-4H,1-2,5-8H2
InChIKeyAHDSLNQKIVBSLQ-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.23
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-tetrafluoro-6-(1,1,2,2-tetrafluorohex-5-enoxy)hex-1-ene?
The IUPAC name of 5,5,6,6-tetrafluoro-6-(1,1,2,2-tetrafluorohex-5-enoxy)hex-1-ene (CID 87256276) is 5,5,6,6-tetrafluoro-6-(1,1,2,2-tetrafluorohex-5-enoxy)hex-1-ene.
What is the SMILES notation for 5,5,6,6-tetrafluoro-6-(1,1,2,2-tetrafluorohex-5-enoxy)hex-1-ene?
The canonical SMILES for 5,5,6,6-tetrafluoro-6-(1,1,2,2-tetrafluorohex-5-enoxy)hex-1-ene is C=CCCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCC=C.
What is the InChIKey of 5,5,6,6-tetrafluoro-6-(1,1,2,2-tetrafluorohex-5-enoxy)hex-1-ene?
The InChIKey is AHDSLNQKIVBSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F8O/c1-3-5-7-9(13,14)11(17,18)21-12(19,20)10(15,16)8-6-4-2/h3-4H,1-2,5-8H2.
What are the key properties of 5,5,6,6-tetrafluoro-6-(1,1,2,2-tetrafluorohex-5-enoxy)hex-1-ene?
5,5,6,6-tetrafluoro-6-(1,1,2,2-tetrafluorohex-5-enoxy)hex-1-ene has a molecular weight of 326.23 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetrafluoro-6-(1,1,2,2-tetrafluorohex-5-enoxy)hex-1-ene is sourced from PubChem (CID 87256276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).