5,5-difluoroocta-1,7-diene-3,4-diol

C8H12F2O2 — CID 134856254

IUPAC5,5-difluoroocta-1,7-diene-3,4-diol
SMILESC=CCC(F)(F)C(O)C(O)C=C
InChIInChI=1S/C8H12F2O2/c1-3-5-8(9,10)7(12)6(11)4-2/h3-4,6-7,11-12H,1-2,5H2
InChIKeyJLPFJBKQAGUGCD-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.11
Rot. Bonds5

About 5,5-difluoroocta-1,7-diene-3,4-diol

5,5-difluoroocta-1,7-diene-3,4-diol (PubChem CID 134856254) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is 5,5-difluoroocta-1,7-diene-3,4-diol.

Molecular Properties

Compound Name5,5-difluoroocta-1,7-diene-3,4-diol
PubChem CID134856254
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name5,5-difluoroocta-1,7-diene-3,4-diol
SMILESC=CCC(F)(F)C(O)C(O)C=C
InChIInChI=1S/C8H12F2O2/c1-3-5-8(9,10)7(12)6(11)4-2/h3-4,6-7,11-12H,1-2,5H2
InChIKeyJLPFJBKQAGUGCD-UHFFFAOYSA-N
XLogP1.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoroocta-1,7-diene-3,4-diol?
The IUPAC name of 5,5-difluoroocta-1,7-diene-3,4-diol (CID 134856254) is 5,5-difluoroocta-1,7-diene-3,4-diol.
What is the SMILES notation for 5,5-difluoroocta-1,7-diene-3,4-diol?
The canonical SMILES for 5,5-difluoroocta-1,7-diene-3,4-diol is C=CCC(F)(F)C(O)C(O)C=C.
What is the InChIKey of 5,5-difluoroocta-1,7-diene-3,4-diol?
The InChIKey is JLPFJBKQAGUGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2/c1-3-5-8(9,10)7(12)6(11)4-2/h3-4,6-7,11-12H,1-2,5H2.
What are the key properties of 5,5-difluoroocta-1,7-diene-3,4-diol?
5,5-difluoroocta-1,7-diene-3,4-diol has a molecular weight of 178.18 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoroocta-1,7-diene-3,4-diol is sourced from PubChem (CID 134856254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).