2-ethoxy-3-fluoroprop-1-ene

C5H9FO — CID 144714625

IUPAC2-ethoxy-3-fluoroprop-1-ene
SMILESC=C(CF)OCC
InChIInChI=1S/C5H9FO/c1-3-7-5(2)4-6/h2-4H2,1H3
InChIKeyMBHFSKCDNCXMKY-UHFFFAOYSA-N
MW104.12 g/mol
LogP1.51
Rot. Bonds3

About 2-ethoxy-3-fluoroprop-1-ene

2-ethoxy-3-fluoroprop-1-ene (PubChem CID 144714625) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is 2-ethoxy-3-fluoroprop-1-ene.

Molecular Properties

Compound Name2-ethoxy-3-fluoroprop-1-ene
PubChem CID144714625
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name2-ethoxy-3-fluoroprop-1-ene
SMILESC=C(CF)OCC
InChIInChI=1S/C5H9FO/c1-3-7-5(2)4-6/h2-4H2,1H3
InChIKeyMBHFSKCDNCXMKY-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
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-ethoxy-3-fluoroprop-1-ene?
The IUPAC name of 2-ethoxy-3-fluoroprop-1-ene (CID 144714625) is 2-ethoxy-3-fluoroprop-1-ene.
What is the SMILES notation for 2-ethoxy-3-fluoroprop-1-ene?
The canonical SMILES for 2-ethoxy-3-fluoroprop-1-ene is C=C(CF)OCC.
What is the InChIKey of 2-ethoxy-3-fluoroprop-1-ene?
The InChIKey is MBHFSKCDNCXMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c1-3-7-5(2)4-6/h2-4H2,1H3.
What are the key properties of 2-ethoxy-3-fluoroprop-1-ene?
2-ethoxy-3-fluoroprop-1-ene has a molecular weight of 104.12 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-fluoroprop-1-ene is sourced from PubChem (CID 144714625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).