fluoro prop-2-enyl carbonate

C4H5FO3 — CID 87074468

IUPACfluoro prop-2-enyl carbonate
SMILESC=CCOC(=O)OF
InChIInChI=1S/C4H5FO3/c1-2-3-7-4(6)8-5/h2H,1,3H2
InChIKeyJYGADZXEEJOTJS-UHFFFAOYSA-N
MW120.08 g/mol
LogP1.21
Rot. Bonds2

About fluoro prop-2-enyl carbonate

fluoro prop-2-enyl carbonate (PubChem CID 87074468) has the molecular formula C4H5FO3 and a molecular weight of 120.08 g/mol. Its IUPAC name is fluoro prop-2-enyl carbonate.

Molecular Properties

Compound Namefluoro prop-2-enyl carbonate
PubChem CID87074468
Molecular FormulaC4H5FO3
Molecular Weight120.08 g/mol
Exact Mass120.02
IUPAC Namefluoro prop-2-enyl carbonate
SMILESC=CCOC(=O)OF
InChIInChI=1S/C4H5FO3/c1-2-3-7-4(6)8-5/h2H,1,3H2
InChIKeyJYGADZXEEJOTJS-UHFFFAOYSA-N
XLogP1.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.08
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro prop-2-enyl carbonate?
The IUPAC name of fluoro prop-2-enyl carbonate (CID 87074468) is fluoro prop-2-enyl carbonate.
What is the SMILES notation for fluoro prop-2-enyl carbonate?
The canonical SMILES for fluoro prop-2-enyl carbonate is C=CCOC(=O)OF.
What is the InChIKey of fluoro prop-2-enyl carbonate?
The InChIKey is JYGADZXEEJOTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO3/c1-2-3-7-4(6)8-5/h2H,1,3H2.
What are the key properties of fluoro prop-2-enyl carbonate?
fluoro prop-2-enyl carbonate has a molecular weight of 120.08 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro prop-2-enyl carbonate is sourced from PubChem (CID 87074468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).