3-fluoro-2-methoxypenta-1,3-diene

C6H9FO — CID 91446001

IUPAC3-fluoro-2-methoxypenta-1,3-diene
SMILESC=C(OC)C(F)=CC
InChIInChI=1S/C6H9FO/c1-4-6(7)5(2)8-3/h4H,2H2,1,3H3
InChIKeyQRONTYAKICQFOG-UHFFFAOYSA-N
MW116.13 g/mol
LogP2.02
Rot. Bonds2

About 3-fluoro-2-methoxypenta-1,3-diene

3-fluoro-2-methoxypenta-1,3-diene (PubChem CID 91446001) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 3-fluoro-2-methoxypenta-1,3-diene.

Molecular Properties

Compound Name3-fluoro-2-methoxypenta-1,3-diene
PubChem CID91446001
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name3-fluoro-2-methoxypenta-1,3-diene
SMILESC=C(OC)C(F)=CC
InChIInChI=1S/C6H9FO/c1-4-6(7)5(2)8-3/h4H,2H2,1,3H3
InChIKeyQRONTYAKICQFOG-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 52.02
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 3-fluoro-2-methoxypenta-1,3-diene?
The IUPAC name of 3-fluoro-2-methoxypenta-1,3-diene (CID 91446001) is 3-fluoro-2-methoxypenta-1,3-diene.
What is the SMILES notation for 3-fluoro-2-methoxypenta-1,3-diene?
The canonical SMILES for 3-fluoro-2-methoxypenta-1,3-diene is C=C(OC)C(F)=CC.
What is the InChIKey of 3-fluoro-2-methoxypenta-1,3-diene?
The InChIKey is QRONTYAKICQFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c1-4-6(7)5(2)8-3/h4H,2H2,1,3H3.
What are the key properties of 3-fluoro-2-methoxypenta-1,3-diene?
3-fluoro-2-methoxypenta-1,3-diene has a molecular weight of 116.13 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxypenta-1,3-diene is sourced from PubChem (CID 91446001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).