(3Z,5E)-1,1,1,2,2,6-hexafluorohepta-3,5-dien-3-ol

C7H6F6O — CID 137418643

IUPAC(3Z,5E)-1,1,1,2,2,6-hexafluorohepta-3,5-dien-3-ol
SMILESC/C(F)=C\C=C(/O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F6O/c1-4(8)2-3-5(14)6(9,10)7(11,12)13/h2-3,14H,1H3/b4-2+,5-3-
InChIKeyNCVVIZFRDBVSAD-HZDAAVBUSA-N
MW220.11 g/mol
LogP3.50
Rot. Bonds2

About (3Z,5E)-1,1,1,2,2,6-hexafluorohepta-3,5-dien-3-ol

(3Z,5E)-1,1,1,2,2,6-hexafluorohepta-3,5-dien-3-ol (PubChem CID 137418643) has the molecular formula C7H6F6O and a molecular weight of 220.11 g/mol. Its IUPAC name is (3Z,5E)-1,1,1,2,2,6-hexafluorohepta-3,5-dien-3-ol.

Molecular Properties

Compound Name(3Z,5E)-1,1,1,2,2,6-hexafluorohepta-3,5-dien-3-ol
PubChem CID137418643
Molecular FormulaC7H6F6O
Molecular Weight220.11 g/mol
Exact Mass220.03
IUPAC Name(3Z,5E)-1,1,1,2,2,6-hexafluorohepta-3,5-dien-3-ol
SMILESC/C(F)=C\C=C(/O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F6O/c1-4(8)2-3-5(14)6(9,10)7(11,12)13/h2-3,14H,1H3/b4-2+,5-3-
InChIKeyNCVVIZFRDBVSAD-HZDAAVBUSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 53.50
H-Bond Donors ≤ 51
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-1,1,1,2,2,6-hexafluorohepta-3,5-dien-3-ol?
The IUPAC name of (3Z,5E)-1,1,1,2,2,6-hexafluorohepta-3,5-dien-3-ol (CID 137418643) is (3Z,5E)-1,1,1,2,2,6-hexafluorohepta-3,5-dien-3-ol.
What is the SMILES notation for (3Z,5E)-1,1,1,2,2,6-hexafluorohepta-3,5-dien-3-ol?
The canonical SMILES for (3Z,5E)-1,1,1,2,2,6-hexafluorohepta-3,5-dien-3-ol is C/C(F)=C\C=C(/O)C(F)(F)C(F)(F)F.
What is the InChIKey of (3Z,5E)-1,1,1,2,2,6-hexafluorohepta-3,5-dien-3-ol?
The InChIKey is NCVVIZFRDBVSAD-HZDAAVBUSA-N. The full InChI is InChI=1S/C7H6F6O/c1-4(8)2-3-5(14)6(9,10)7(11,12)13/h2-3,14H,1H3/b4-2+,5-3-.
What are the key properties of (3Z,5E)-1,1,1,2,2,6-hexafluorohepta-3,5-dien-3-ol?
(3Z,5E)-1,1,1,2,2,6-hexafluorohepta-3,5-dien-3-ol has a molecular weight of 220.11 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-1,1,1,2,2,6-hexafluorohepta-3,5-dien-3-ol is sourced from PubChem (CID 137418643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).