1-ethenoxy-1-fluoropropane

C5H9FO — CID 18790365

IUPAC1-ethenoxy-1-fluoropropane
SMILESC=COC(F)CC
InChIInChI=1S/C5H9FO/c1-3-5(6)7-4-2/h4-5H,2-3H2,1H3
InChIKeyKJINMKVQRMOLDK-UHFFFAOYSA-N
MW104.12 g/mol
LogP1.85
Rot. Bonds3

About 1-ethenoxy-1-fluoropropane

1-ethenoxy-1-fluoropropane (PubChem CID 18790365) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is 1-ethenoxy-1-fluoropropane.

Molecular Properties

Compound Name1-ethenoxy-1-fluoropropane
PubChem CID18790365
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name1-ethenoxy-1-fluoropropane
SMILESC=COC(F)CC
InChIInChI=1S/C5H9FO/c1-3-5(6)7-4-2/h4-5H,2-3H2,1H3
InChIKeyKJINMKVQRMOLDK-UHFFFAOYSA-N
XLogP1.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.12
LogP ≤ 51.85
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 1-ethenoxy-1-fluoropropane?
The IUPAC name of 1-ethenoxy-1-fluoropropane (CID 18790365) is 1-ethenoxy-1-fluoropropane.
What is the SMILES notation for 1-ethenoxy-1-fluoropropane?
The canonical SMILES for 1-ethenoxy-1-fluoropropane is C=COC(F)CC.
What is the InChIKey of 1-ethenoxy-1-fluoropropane?
The InChIKey is KJINMKVQRMOLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c1-3-5(6)7-4-2/h4-5H,2-3H2,1H3.
What are the key properties of 1-ethenoxy-1-fluoropropane?
1-ethenoxy-1-fluoropropane has a molecular weight of 104.12 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1-fluoropropane is sourced from PubChem (CID 18790365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).