(3E,5E)-3-(1,1-difluoroethyl)-6-methylocta-1,3,5-triene

C11H16F2 — CID 118153241

IUPAC(3E,5E)-3-(1,1-difluoroethyl)-6-methylocta-1,3,5-triene
SMILESC=C/C(=C\C=C(/C)CC)C(C)(F)F
InChIInChI=1S/C11H16F2/c1-5-9(3)7-8-10(6-2)11(4,12)13/h6-8H,2,5H2,1,3-4H3/b9-7+,10-8+
InChIKeyTUFRIKXPKMAMRW-FIFLTTCUSA-N
MW186.24 g/mol
LogP4.11
Rot. Bonds4

About (3E,5E)-3-(1,1-difluoroethyl)-6-methylocta-1,3,5-triene

(3E,5E)-3-(1,1-difluoroethyl)-6-methylocta-1,3,5-triene (PubChem CID 118153241) has the molecular formula C11H16F2 and a molecular weight of 186.24 g/mol. Its IUPAC name is (3E,5E)-3-(1,1-difluoroethyl)-6-methylocta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-3-(1,1-difluoroethyl)-6-methylocta-1,3,5-triene
PubChem CID118153241
Molecular FormulaC11H16F2
Molecular Weight186.24 g/mol
Exact Mass186.12
IUPAC Name(3E,5E)-3-(1,1-difluoroethyl)-6-methylocta-1,3,5-triene
SMILESC=C/C(=C\C=C(/C)CC)C(C)(F)F
InChIInChI=1S/C11H16F2/c1-5-9(3)7-8-10(6-2)11(4,12)13/h6-8H,2,5H2,1,3-4H3/b9-7+,10-8+
InChIKeyTUFRIKXPKMAMRW-FIFLTTCUSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3-(1,1-difluoroethyl)-6-methylocta-1,3,5-triene?
The IUPAC name of (3E,5E)-3-(1,1-difluoroethyl)-6-methylocta-1,3,5-triene (CID 118153241) is (3E,5E)-3-(1,1-difluoroethyl)-6-methylocta-1,3,5-triene.
What is the SMILES notation for (3E,5E)-3-(1,1-difluoroethyl)-6-methylocta-1,3,5-triene?
The canonical SMILES for (3E,5E)-3-(1,1-difluoroethyl)-6-methylocta-1,3,5-triene is C=C/C(=C\C=C(/C)CC)C(C)(F)F.
What is the InChIKey of (3E,5E)-3-(1,1-difluoroethyl)-6-methylocta-1,3,5-triene?
The InChIKey is TUFRIKXPKMAMRW-FIFLTTCUSA-N. The full InChI is InChI=1S/C11H16F2/c1-5-9(3)7-8-10(6-2)11(4,12)13/h6-8H,2,5H2,1,3-4H3/b9-7+,10-8+.
What are the key properties of (3E,5E)-3-(1,1-difluoroethyl)-6-methylocta-1,3,5-triene?
(3E,5E)-3-(1,1-difluoroethyl)-6-methylocta-1,3,5-triene has a molecular weight of 186.24 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3-(1,1-difluoroethyl)-6-methylocta-1,3,5-triene is sourced from PubChem (CID 118153241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).