(3E)-5-fluoro-3-methoxy-2-methylhexa-1,3,5-triene

C8H11FO — CID 143319964

IUPAC(3E)-5-fluoro-3-methoxy-2-methylhexa-1,3,5-triene
SMILESC=C(F)/C=C(/OC)C(=C)C
InChIInChI=1S/C8H11FO/c1-6(2)8(10-4)5-7(3)9/h5H,1,3H2,2,4H3/b8-5+
InChIKeyDAQDHADZYHDOSW-VMPITWQZSA-N
MW142.17 g/mol
LogP2.58
Rot. Bonds3

About (3E)-5-fluoro-3-methoxy-2-methylhexa-1,3,5-triene

(3E)-5-fluoro-3-methoxy-2-methylhexa-1,3,5-triene (PubChem CID 143319964) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is (3E)-5-fluoro-3-methoxy-2-methylhexa-1,3,5-triene.

Molecular Properties

Compound Name(3E)-5-fluoro-3-methoxy-2-methylhexa-1,3,5-triene
PubChem CID143319964
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name(3E)-5-fluoro-3-methoxy-2-methylhexa-1,3,5-triene
SMILESC=C(F)/C=C(/OC)C(=C)C
InChIInChI=1S/C8H11FO/c1-6(2)8(10-4)5-7(3)9/h5H,1,3H2,2,4H3/b8-5+
InChIKeyDAQDHADZYHDOSW-VMPITWQZSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-3-methoxy-2-methylhexa-1,3,5-triene?
The IUPAC name of (3E)-5-fluoro-3-methoxy-2-methylhexa-1,3,5-triene (CID 143319964) is (3E)-5-fluoro-3-methoxy-2-methylhexa-1,3,5-triene.
What is the SMILES notation for (3E)-5-fluoro-3-methoxy-2-methylhexa-1,3,5-triene?
The canonical SMILES for (3E)-5-fluoro-3-methoxy-2-methylhexa-1,3,5-triene is C=C(F)/C=C(/OC)C(=C)C.
What is the InChIKey of (3E)-5-fluoro-3-methoxy-2-methylhexa-1,3,5-triene?
The InChIKey is DAQDHADZYHDOSW-VMPITWQZSA-N. The full InChI is InChI=1S/C8H11FO/c1-6(2)8(10-4)5-7(3)9/h5H,1,3H2,2,4H3/b8-5+.
What are the key properties of (3E)-5-fluoro-3-methoxy-2-methylhexa-1,3,5-triene?
(3E)-5-fluoro-3-methoxy-2-methylhexa-1,3,5-triene has a molecular weight of 142.17 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-3-methoxy-2-methylhexa-1,3,5-triene is sourced from PubChem (CID 143319964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).