(3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene

C10H17F — CID 58515107

IUPAC(3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene
SMILESCC(C)/C=C\C=C(\F)C(C)C
InChIInChI=1S/C10H17F/c1-8(2)6-5-7-10(11)9(3)4/h5-9H,1-4H3/b6-5-,10-7+
InChIKeyBPTRUJNTRJDORK-ZZWPSLBBSA-N
MW156.24 g/mol
LogP3.71
Rot. Bonds3

About (3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene

(3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene (PubChem CID 58515107) has the molecular formula C10H17F and a molecular weight of 156.24 g/mol. Its IUPAC name is (3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene.

Molecular Properties

Compound Name(3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene
PubChem CID58515107
Molecular FormulaC10H17F
Molecular Weight156.24 g/mol
Exact Mass156.13
IUPAC Name(3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene
SMILESCC(C)/C=C\C=C(\F)C(C)C
InChIInChI=1S/C10H17F/c1-8(2)6-5-7-10(11)9(3)4/h5-9H,1-4H3/b6-5-,10-7+
InChIKeyBPTRUJNTRJDORK-ZZWPSLBBSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 53.71
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,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene?
The IUPAC name of (3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene (CID 58515107) is (3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene.
What is the SMILES notation for (3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene?
The canonical SMILES for (3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene is CC(C)/C=C\C=C(\F)C(C)C.
What is the InChIKey of (3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene?
The InChIKey is BPTRUJNTRJDORK-ZZWPSLBBSA-N. The full InChI is InChI=1S/C10H17F/c1-8(2)6-5-7-10(11)9(3)4/h5-9H,1-4H3/b6-5-,10-7+.
What are the key properties of (3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene?
(3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene has a molecular weight of 156.24 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene is sourced from PubChem (CID 58515107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).