(4Z,6Z)-3-(fluoromethyl)-2,6-dimethylocta-2,4,6-triene

C11H17F — CID 88958496

IUPAC(4Z,6Z)-3-(fluoromethyl)-2,6-dimethylocta-2,4,6-triene
SMILESC/C=C(C)\C=C/C(CF)=C(C)C
InChIInChI=1S/C11H17F/c1-5-10(4)6-7-11(8-12)9(2)3/h5-7H,8H2,1-4H3/b7-6-,10-5-
InChIKeyZDLDQRACPHPJMU-BHHIIOOYSA-N
MW168.25 g/mol
LogP3.81
Rot. Bonds3

About (4Z,6Z)-3-(fluoromethyl)-2,6-dimethylocta-2,4,6-triene

(4Z,6Z)-3-(fluoromethyl)-2,6-dimethylocta-2,4,6-triene (PubChem CID 88958496) has the molecular formula C11H17F and a molecular weight of 168.25 g/mol. Its IUPAC name is (4Z,6Z)-3-(fluoromethyl)-2,6-dimethylocta-2,4,6-triene.

Molecular Properties

Compound Name(4Z,6Z)-3-(fluoromethyl)-2,6-dimethylocta-2,4,6-triene
PubChem CID88958496
Molecular FormulaC11H17F
Molecular Weight168.25 g/mol
Exact Mass168.13
IUPAC Name(4Z,6Z)-3-(fluoromethyl)-2,6-dimethylocta-2,4,6-triene
SMILESC/C=C(C)\C=C/C(CF)=C(C)C
InChIInChI=1S/C11H17F/c1-5-10(4)6-7-11(8-12)9(2)3/h5-7H,8H2,1-4H3/b7-6-,10-5-
InChIKeyZDLDQRACPHPJMU-BHHIIOOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 53.81
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 (4Z,6Z)-3-(fluoromethyl)-2,6-dimethylocta-2,4,6-triene?
The IUPAC name of (4Z,6Z)-3-(fluoromethyl)-2,6-dimethylocta-2,4,6-triene (CID 88958496) is (4Z,6Z)-3-(fluoromethyl)-2,6-dimethylocta-2,4,6-triene.
What is the SMILES notation for (4Z,6Z)-3-(fluoromethyl)-2,6-dimethylocta-2,4,6-triene?
The canonical SMILES for (4Z,6Z)-3-(fluoromethyl)-2,6-dimethylocta-2,4,6-triene is C/C=C(C)\C=C/C(CF)=C(C)C.
What is the InChIKey of (4Z,6Z)-3-(fluoromethyl)-2,6-dimethylocta-2,4,6-triene?
The InChIKey is ZDLDQRACPHPJMU-BHHIIOOYSA-N. The full InChI is InChI=1S/C11H17F/c1-5-10(4)6-7-11(8-12)9(2)3/h5-7H,8H2,1-4H3/b7-6-,10-5-.
What are the key properties of (4Z,6Z)-3-(fluoromethyl)-2,6-dimethylocta-2,4,6-triene?
(4Z,6Z)-3-(fluoromethyl)-2,6-dimethylocta-2,4,6-triene has a molecular weight of 168.25 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-3-(fluoromethyl)-2,6-dimethylocta-2,4,6-triene is sourced from PubChem (CID 88958496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).