1,1,1,3,3-pentafluoronon-8-ene-2,2,4-triol

C9H13F5O3 — CID 22662585

IUPAC1,1,1,3,3-pentafluoronon-8-ene-2,2,4-triol
SMILESC=CCCCC(O)C(F)(F)C(O)(O)C(F)(F)F
InChIInChI=1S/C9H13F5O3/c1-2-3-4-5-6(15)7(10,11)8(16,17)9(12,13)14/h2,6,15-17H,1,3-5H2
InChIKeyFHRZPAMUVMRNDQ-UHFFFAOYSA-N
MW264.19 g/mol
LogP1.58
Rot. Bonds6

About 1,1,1,3,3-pentafluoronon-8-ene-2,2,4-triol

1,1,1,3,3-pentafluoronon-8-ene-2,2,4-triol (PubChem CID 22662585) has the molecular formula C9H13F5O3 and a molecular weight of 264.19 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoronon-8-ene-2,2,4-triol.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoronon-8-ene-2,2,4-triol
PubChem CID22662585
Molecular FormulaC9H13F5O3
Molecular Weight264.19 g/mol
Exact Mass264.08
IUPAC Name1,1,1,3,3-pentafluoronon-8-ene-2,2,4-triol
SMILESC=CCCCC(O)C(F)(F)C(O)(O)C(F)(F)F
InChIInChI=1S/C9H13F5O3/c1-2-3-4-5-6(15)7(10,11)8(16,17)9(12,13)14/h2,6,15-17H,1,3-5H2
InChIKeyFHRZPAMUVMRNDQ-UHFFFAOYSA-N
XLogP1.58
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoronon-8-ene-2,2,4-triol?
The IUPAC name of 1,1,1,3,3-pentafluoronon-8-ene-2,2,4-triol (CID 22662585) is 1,1,1,3,3-pentafluoronon-8-ene-2,2,4-triol.
What is the SMILES notation for 1,1,1,3,3-pentafluoronon-8-ene-2,2,4-triol?
The canonical SMILES for 1,1,1,3,3-pentafluoronon-8-ene-2,2,4-triol is C=CCCCC(O)C(F)(F)C(O)(O)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoronon-8-ene-2,2,4-triol?
The InChIKey is FHRZPAMUVMRNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F5O3/c1-2-3-4-5-6(15)7(10,11)8(16,17)9(12,13)14/h2,6,15-17H,1,3-5H2.
What are the key properties of 1,1,1,3,3-pentafluoronon-8-ene-2,2,4-triol?
1,1,1,3,3-pentafluoronon-8-ene-2,2,4-triol has a molecular weight of 264.19 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoronon-8-ene-2,2,4-triol is sourced from PubChem (CID 22662585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).