(1E,3Z)-1-fluoro-5-methylhexa-1,3,5-triene

C7H9F — CID 88582750

IUPAC(1E,3Z)-1-fluoro-5-methylhexa-1,3,5-triene
SMILESC=C(C)/C=C\C=C\F
InChIInChI=1S/C7H9F/c1-7(2)5-3-4-6-8/h3-6H,1H2,2H3/b5-3-,6-4+
InChIKeyJSKJKOTYKOUMKZ-CIIODKQPSA-N
MW112.15 g/mol
LogP2.60
Rot. Bonds2

About (1E,3Z)-1-fluoro-5-methylhexa-1,3,5-triene

(1E,3Z)-1-fluoro-5-methylhexa-1,3,5-triene (PubChem CID 88582750) has the molecular formula C7H9F and a molecular weight of 112.15 g/mol. Its IUPAC name is (1E,3Z)-1-fluoro-5-methylhexa-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z)-1-fluoro-5-methylhexa-1,3,5-triene
PubChem CID88582750
Molecular FormulaC7H9F
Molecular Weight112.15 g/mol
Exact Mass112.07
IUPAC Name(1E,3Z)-1-fluoro-5-methylhexa-1,3,5-triene
SMILESC=C(C)/C=C\C=C\F
InChIInChI=1S/C7H9F/c1-7(2)5-3-4-6-8/h3-6H,1H2,2H3/b5-3-,6-4+
InChIKeyJSKJKOTYKOUMKZ-CIIODKQPSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 52.60
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 (1E,3Z)-1-fluoro-5-methylhexa-1,3,5-triene?
The IUPAC name of (1E,3Z)-1-fluoro-5-methylhexa-1,3,5-triene (CID 88582750) is (1E,3Z)-1-fluoro-5-methylhexa-1,3,5-triene.
What is the SMILES notation for (1E,3Z)-1-fluoro-5-methylhexa-1,3,5-triene?
The canonical SMILES for (1E,3Z)-1-fluoro-5-methylhexa-1,3,5-triene is C=C(C)/C=C\C=C\F.
What is the InChIKey of (1E,3Z)-1-fluoro-5-methylhexa-1,3,5-triene?
The InChIKey is JSKJKOTYKOUMKZ-CIIODKQPSA-N. The full InChI is InChI=1S/C7H9F/c1-7(2)5-3-4-6-8/h3-6H,1H2,2H3/b5-3-,6-4+.
What are the key properties of (1E,3Z)-1-fluoro-5-methylhexa-1,3,5-triene?
(1E,3Z)-1-fluoro-5-methylhexa-1,3,5-triene has a molecular weight of 112.15 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-fluoro-5-methylhexa-1,3,5-triene is sourced from PubChem (CID 88582750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).