(3E,5E)-3-ethyl-2,2-difluoroocta-3,5-diene-1,6-diol

C10H16F2O2 — CID 163685509

IUPAC(3E,5E)-3-ethyl-2,2-difluoroocta-3,5-diene-1,6-diol
SMILESCC/C(O)=C\C=C(/CC)C(F)(F)CO
InChIInChI=1S/C10H16F2O2/c1-3-8(10(11,12)7-13)5-6-9(14)4-2/h5-6,13-14H,3-4,7H2,1-2H3/b8-5+,9-6+
InChIKeyJONGWHJCCJMDAM-XVYDYJIPSA-N
MW206.23 g/mol
LogP2.80
Rot. Bonds5

About (3E,5E)-3-ethyl-2,2-difluoroocta-3,5-diene-1,6-diol

(3E,5E)-3-ethyl-2,2-difluoroocta-3,5-diene-1,6-diol (PubChem CID 163685509) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is (3E,5E)-3-ethyl-2,2-difluoroocta-3,5-diene-1,6-diol.

Molecular Properties

Compound Name(3E,5E)-3-ethyl-2,2-difluoroocta-3,5-diene-1,6-diol
PubChem CID163685509
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name(3E,5E)-3-ethyl-2,2-difluoroocta-3,5-diene-1,6-diol
SMILESCC/C(O)=C\C=C(/CC)C(F)(F)CO
InChIInChI=1S/C10H16F2O2/c1-3-8(10(11,12)7-13)5-6-9(14)4-2/h5-6,13-14H,3-4,7H2,1-2H3/b8-5+,9-6+
InChIKeyJONGWHJCCJMDAM-XVYDYJIPSA-N
XLogP2.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3-ethyl-2,2-difluoroocta-3,5-diene-1,6-diol?
The IUPAC name of (3E,5E)-3-ethyl-2,2-difluoroocta-3,5-diene-1,6-diol (CID 163685509) is (3E,5E)-3-ethyl-2,2-difluoroocta-3,5-diene-1,6-diol.
What is the SMILES notation for (3E,5E)-3-ethyl-2,2-difluoroocta-3,5-diene-1,6-diol?
The canonical SMILES for (3E,5E)-3-ethyl-2,2-difluoroocta-3,5-diene-1,6-diol is CC/C(O)=C\C=C(/CC)C(F)(F)CO.
What is the InChIKey of (3E,5E)-3-ethyl-2,2-difluoroocta-3,5-diene-1,6-diol?
The InChIKey is JONGWHJCCJMDAM-XVYDYJIPSA-N. The full InChI is InChI=1S/C10H16F2O2/c1-3-8(10(11,12)7-13)5-6-9(14)4-2/h5-6,13-14H,3-4,7H2,1-2H3/b8-5+,9-6+.
What are the key properties of (3E,5E)-3-ethyl-2,2-difluoroocta-3,5-diene-1,6-diol?
(3E,5E)-3-ethyl-2,2-difluoroocta-3,5-diene-1,6-diol has a molecular weight of 206.23 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3-ethyl-2,2-difluoroocta-3,5-diene-1,6-diol is sourced from PubChem (CID 163685509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).