3-fluoroprop-1-enyl formate

C4H5FO2 — CID 91277334

IUPAC3-fluoroprop-1-enyl formate
SMILESO=COC=CCF
InChIInChI=1S/C4H5FO2/c5-2-1-3-7-4-6/h1,3-4H,2H2
InChIKeyWUHIGAKRPNEQNM-UHFFFAOYSA-N
MW104.08 g/mol
LogP0.64
Rot. Bonds3

About 3-fluoroprop-1-enyl formate

3-fluoroprop-1-enyl formate (PubChem CID 91277334) has the molecular formula C4H5FO2 and a molecular weight of 104.08 g/mol. Its IUPAC name is 3-fluoroprop-1-enyl formate.

Molecular Properties

Compound Name3-fluoroprop-1-enyl formate
PubChem CID91277334
Molecular FormulaC4H5FO2
Molecular Weight104.08 g/mol
Exact Mass104.03
IUPAC Name3-fluoroprop-1-enyl formate
SMILESO=COC=CCF
InChIInChI=1S/C4H5FO2/c5-2-1-3-7-4-6/h1,3-4H,2H2
InChIKeyWUHIGAKRPNEQNM-UHFFFAOYSA-N
XLogP0.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.08
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoroprop-1-enyl formate?
The IUPAC name of 3-fluoroprop-1-enyl formate (CID 91277334) is 3-fluoroprop-1-enyl formate.
What is the SMILES notation for 3-fluoroprop-1-enyl formate?
The canonical SMILES for 3-fluoroprop-1-enyl formate is O=COC=CCF.
What is the InChIKey of 3-fluoroprop-1-enyl formate?
The InChIKey is WUHIGAKRPNEQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO2/c5-2-1-3-7-4-6/h1,3-4H,2H2.
What are the key properties of 3-fluoroprop-1-enyl formate?
3-fluoroprop-1-enyl formate has a molecular weight of 104.08 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroprop-1-enyl formate is sourced from PubChem (CID 91277334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).