2-ethenoxy-2-fluoropropane

C5H9FO — CID 58979831

IUPAC2-ethenoxy-2-fluoropropane
SMILESC=COC(C)(C)F
InChIInChI=1S/C5H9FO/c1-4-7-5(2,3)6/h4H,1H2,2-3H3
InChIKeyCNVTUUZEUDOVKU-UHFFFAOYSA-N
MW104.12 g/mol
LogP1.85
Rot. Bonds2

About 2-ethenoxy-2-fluoropropane

2-ethenoxy-2-fluoropropane (PubChem CID 58979831) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is 2-ethenoxy-2-fluoropropane.

Molecular Properties

Compound Name2-ethenoxy-2-fluoropropane
PubChem CID58979831
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name2-ethenoxy-2-fluoropropane
SMILESC=COC(C)(C)F
InChIInChI=1S/C5H9FO/c1-4-7-5(2,3)6/h4H,1H2,2-3H3
InChIKeyCNVTUUZEUDOVKU-UHFFFAOYSA-N
XLogP1.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 2-ethenoxy-2-fluoropropane?
The IUPAC name of 2-ethenoxy-2-fluoropropane (CID 58979831) is 2-ethenoxy-2-fluoropropane.
What is the SMILES notation for 2-ethenoxy-2-fluoropropane?
The canonical SMILES for 2-ethenoxy-2-fluoropropane is C=COC(C)(C)F.
What is the InChIKey of 2-ethenoxy-2-fluoropropane?
The InChIKey is CNVTUUZEUDOVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c1-4-7-5(2,3)6/h4H,1H2,2-3H3.
What are the key properties of 2-ethenoxy-2-fluoropropane?
2-ethenoxy-2-fluoropropane has a molecular weight of 104.12 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-2-fluoropropane is sourced from PubChem (CID 58979831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).