(2E)-1-fluoro-3,7-dimethylocta-2,6-diene

C10H17F — CID 11298104

IUPAC(2E)-1-fluoro-3,7-dimethylocta-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CF
InChIInChI=1S/C10H17F/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+
InChIKeyREBHKICDAKREBV-JXMROGBWSA-N
MW156.24 g/mol
LogP3.65
Rot. Bonds4

About (2E)-1-fluoro-3,7-dimethylocta-2,6-diene

(2E)-1-fluoro-3,7-dimethylocta-2,6-diene (PubChem CID 11298104) has the molecular formula C10H17F and a molecular weight of 156.24 g/mol. Its IUPAC name is (2E)-1-fluoro-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2E)-1-fluoro-3,7-dimethylocta-2,6-diene
PubChem CID11298104
Molecular FormulaC10H17F
Molecular Weight156.24 g/mol
Exact Mass156.13
IUPAC Name(2E)-1-fluoro-3,7-dimethylocta-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CF
InChIInChI=1S/C10H17F/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+
InChIKeyREBHKICDAKREBV-JXMROGBWSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (2E)-1-fluoro-3,7-dimethylocta-2,6-diene?
The IUPAC name of (2E)-1-fluoro-3,7-dimethylocta-2,6-diene (CID 11298104) is (2E)-1-fluoro-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for (2E)-1-fluoro-3,7-dimethylocta-2,6-diene?
The canonical SMILES for (2E)-1-fluoro-3,7-dimethylocta-2,6-diene is CC(C)=CCC/C(C)=C/CF.
What is the InChIKey of (2E)-1-fluoro-3,7-dimethylocta-2,6-diene?
The InChIKey is REBHKICDAKREBV-JXMROGBWSA-N. The full InChI is InChI=1S/C10H17F/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+.
What are the key properties of (2E)-1-fluoro-3,7-dimethylocta-2,6-diene?
(2E)-1-fluoro-3,7-dimethylocta-2,6-diene has a molecular weight of 156.24 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-fluoro-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 11298104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).