1-fluoroprop-1-enyl formate

C4H5FO2 — CID 173135117

IUPAC1-fluoroprop-1-enyl formate
SMILESCC=C(F)OC=O
InChIInChI=1S/C4H5FO2/c1-2-4(5)7-3-6/h2-3H,1H3
InChIKeyJYLMFLKPDJWGIL-UHFFFAOYSA-N
MW104.08 g/mol
LogP0.99
Rot. Bonds2

About 1-fluoroprop-1-enyl formate

1-fluoroprop-1-enyl formate (PubChem CID 173135117) has the molecular formula C4H5FO2 and a molecular weight of 104.08 g/mol. Its IUPAC name is 1-fluoroprop-1-enyl formate.

Molecular Properties

Compound Name1-fluoroprop-1-enyl formate
PubChem CID173135117
Molecular FormulaC4H5FO2
Molecular Weight104.08 g/mol
Exact Mass104.03
IUPAC Name1-fluoroprop-1-enyl formate
SMILESCC=C(F)OC=O
InChIInChI=1S/C4H5FO2/c1-2-4(5)7-3-6/h2-3H,1H3
InChIKeyJYLMFLKPDJWGIL-UHFFFAOYSA-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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Related Compounds

[(E)-1-fluoroprop-1-enyl] methyl carbonate
CID 89437481
1-Fluoroprop-1-enyl methyl carbonate
CID 89437482
3-Fluoroprop-1-enyl formate
CID 91277334
[(E)-1-fluoroprop-1-enyl] formate
CID 173135116
[(Z)-1-fluorobut-1-enyl] formate
CID 173135524
1-Fluorobut-1-enyl formate
CID 173135525
Buta-1,2-dienyl formate
CID 57275414

Frequently Asked Questions

What is the IUPAC name of 1-fluoroprop-1-enyl formate?
The IUPAC name of 1-fluoroprop-1-enyl formate (CID 173135117) is 1-fluoroprop-1-enyl formate.
What is the SMILES notation for 1-fluoroprop-1-enyl formate?
The canonical SMILES for 1-fluoroprop-1-enyl formate is CC=C(F)OC=O.
What is the InChIKey of 1-fluoroprop-1-enyl formate?
The InChIKey is JYLMFLKPDJWGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO2/c1-2-4(5)7-3-6/h2-3H,1H3.
What are the key properties of 1-fluoroprop-1-enyl formate?
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 1-fluoroprop-1-enyl formate is sourced from PubChem (CID 173135117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).