[(E)-1-fluoroprop-1-enyl] formate

C4H5FO2 — CID 173135116

IUPAC[(E)-1-fluoroprop-1-enyl] formate
SMILESC/C=C(/F)OC=O
InChIInChI=1S/C4H5FO2/c1-2-4(5)7-3-6/h2-3H,1H3/b4-2-
InChIKeyJYLMFLKPDJWGIL-RQOWECAXSA-N
MW104.08 g/mol
LogP0.99
Rot. Bonds2

About [(E)-1-fluoroprop-1-enyl] formate

[(E)-1-fluoroprop-1-enyl] formate (PubChem CID 173135116) has the molecular formula C4H5FO2 and a molecular weight of 104.08 g/mol. Its IUPAC name is [(E)-1-fluoroprop-1-enyl] formate.

Molecular Properties

Compound Name[(E)-1-fluoroprop-1-enyl] formate
PubChem CID173135116
Molecular FormulaC4H5FO2
Molecular Weight104.08 g/mol
Exact Mass104.03
IUPAC Name[(E)-1-fluoroprop-1-enyl] formate
SMILESC/C=C(/F)OC=O
InChIInChI=1S/C4H5FO2/c1-2-4(5)7-3-6/h2-3H,1H3/b4-2-
InChIKeyJYLMFLKPDJWGIL-RQOWECAXSA-N
XLogP0.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.08
LogP ≤ 50.99
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 [(E)-1-fluoroprop-1-enyl] formate?
The IUPAC name of [(E)-1-fluoroprop-1-enyl] formate (CID 173135116) is [(E)-1-fluoroprop-1-enyl] formate.
What is the SMILES notation for [(E)-1-fluoroprop-1-enyl] formate?
The canonical SMILES for [(E)-1-fluoroprop-1-enyl] formate is C/C=C(/F)OC=O.
What is the InChIKey of [(E)-1-fluoroprop-1-enyl] formate?
The InChIKey is JYLMFLKPDJWGIL-RQOWECAXSA-N. The full InChI is InChI=1S/C4H5FO2/c1-2-4(5)7-3-6/h2-3H,1H3/b4-2-.
What are the key properties of [(E)-1-fluoroprop-1-enyl] formate?
[(E)-1-fluoroprop-1-enyl] formate has a molecular weight of 104.08 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-fluoroprop-1-enyl] formate is sourced from PubChem (CID 173135116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).