5-fluoro-2-methoxy-3-methylhexa-1,5-diene

C8H13FO — CID 139435147

IUPAC5-fluoro-2-methoxy-3-methylhexa-1,5-diene
SMILESC=C(F)CC(C)C(=C)OC
InChIInChI=1S/C8H13FO/c1-6(5-7(2)9)8(3)10-4/h6H,2-3,5H2,1,4H3
InChIKeyUYDRHTGTBOMQGQ-UHFFFAOYSA-N
MW144.19 g/mol
LogP2.66
Rot. Bonds4

About 5-fluoro-2-methoxy-3-methylhexa-1,5-diene

5-fluoro-2-methoxy-3-methylhexa-1,5-diene (PubChem CID 139435147) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-3-methylhexa-1,5-diene.

Molecular Properties

Compound Name5-fluoro-2-methoxy-3-methylhexa-1,5-diene
PubChem CID139435147
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name5-fluoro-2-methoxy-3-methylhexa-1,5-diene
SMILESC=C(F)CC(C)C(=C)OC
InChIInChI=1S/C8H13FO/c1-6(5-7(2)9)8(3)10-4/h6H,2-3,5H2,1,4H3
InChIKeyUYDRHTGTBOMQGQ-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-3-methylhexa-1,5-diene?
The IUPAC name of 5-fluoro-2-methoxy-3-methylhexa-1,5-diene (CID 139435147) is 5-fluoro-2-methoxy-3-methylhexa-1,5-diene.
What is the SMILES notation for 5-fluoro-2-methoxy-3-methylhexa-1,5-diene?
The canonical SMILES for 5-fluoro-2-methoxy-3-methylhexa-1,5-diene is C=C(F)CC(C)C(=C)OC.
What is the InChIKey of 5-fluoro-2-methoxy-3-methylhexa-1,5-diene?
The InChIKey is UYDRHTGTBOMQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO/c1-6(5-7(2)9)8(3)10-4/h6H,2-3,5H2,1,4H3.
What are the key properties of 5-fluoro-2-methoxy-3-methylhexa-1,5-diene?
5-fluoro-2-methoxy-3-methylhexa-1,5-diene has a molecular weight of 144.19 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-3-methylhexa-1,5-diene is sourced from PubChem (CID 139435147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).