1-fluoro-1-methoxy-4-methylpenta-1,3-diene

C7H11FO — CID 87088585

IUPAC1-fluoro-1-methoxy-4-methylpenta-1,3-diene
SMILESCOC(F)=CC=C(C)C
InChIInChI=1S/C7H11FO/c1-6(2)4-5-7(8)9-3/h4-5H,1-3H3
InChIKeyDAKXZJOZWPAXMJ-UHFFFAOYSA-N
MW130.16 g/mol
LogP2.41
Rot. Bonds2

About 1-fluoro-1-methoxy-4-methylpenta-1,3-diene

1-fluoro-1-methoxy-4-methylpenta-1,3-diene (PubChem CID 87088585) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is 1-fluoro-1-methoxy-4-methylpenta-1,3-diene.

Molecular Properties

Compound Name1-fluoro-1-methoxy-4-methylpenta-1,3-diene
PubChem CID87088585
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name1-fluoro-1-methoxy-4-methylpenta-1,3-diene
SMILESCOC(F)=CC=C(C)C
InChIInChI=1S/C7H11FO/c1-6(2)4-5-7(8)9-3/h4-5H,1-3H3
InChIKeyDAKXZJOZWPAXMJ-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 52.41
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 1-fluoro-1-methoxy-4-methylpenta-1,3-diene?
The IUPAC name of 1-fluoro-1-methoxy-4-methylpenta-1,3-diene (CID 87088585) is 1-fluoro-1-methoxy-4-methylpenta-1,3-diene.
What is the SMILES notation for 1-fluoro-1-methoxy-4-methylpenta-1,3-diene?
The canonical SMILES for 1-fluoro-1-methoxy-4-methylpenta-1,3-diene is COC(F)=CC=C(C)C.
What is the InChIKey of 1-fluoro-1-methoxy-4-methylpenta-1,3-diene?
The InChIKey is DAKXZJOZWPAXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c1-6(2)4-5-7(8)9-3/h4-5H,1-3H3.
What are the key properties of 1-fluoro-1-methoxy-4-methylpenta-1,3-diene?
1-fluoro-1-methoxy-4-methylpenta-1,3-diene has a molecular weight of 130.16 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-methoxy-4-methylpenta-1,3-diene is sourced from PubChem (CID 87088585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).