prop-2-enyl carbonofluoridate

C4H5FO2 — CID 11506446

IUPACprop-2-enyl carbonofluoridate
SMILESC=CCOC(=O)F
InChIInChI=1S/C4H5FO2/c1-2-3-7-4(5)6/h2H,1,3H2
InChIKeyTYEDIZXARGSAAD-UHFFFAOYSA-N
MW104.08 g/mol
LogP1.28
Rot. Bonds2

About prop-2-enyl carbonofluoridate

prop-2-enyl carbonofluoridate (PubChem CID 11506446) has the molecular formula C4H5FO2 and a molecular weight of 104.08 g/mol. Its IUPAC name is prop-2-enyl carbonofluoridate.

Molecular Properties

Compound Nameprop-2-enyl carbonofluoridate
PubChem CID11506446
Molecular FormulaC4H5FO2
Molecular Weight104.08 g/mol
Exact Mass104.03
IUPAC Nameprop-2-enyl carbonofluoridate
SMILESC=CCOC(=O)F
InChIInChI=1S/C4H5FO2/c1-2-3-7-4(5)6/h2H,1,3H2
InChIKeyTYEDIZXARGSAAD-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl carbonofluoridate?
The IUPAC name of prop-2-enyl carbonofluoridate (CID 11506446) is prop-2-enyl carbonofluoridate.
What is the SMILES notation for prop-2-enyl carbonofluoridate?
The canonical SMILES for prop-2-enyl carbonofluoridate is C=CCOC(=O)F.
What is the InChIKey of prop-2-enyl carbonofluoridate?
The InChIKey is TYEDIZXARGSAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO2/c1-2-3-7-4(5)6/h2H,1,3H2.
What are the key properties of prop-2-enyl carbonofluoridate?
prop-2-enyl carbonofluoridate has a molecular weight of 104.08 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl carbonofluoridate is sourced from PubChem (CID 11506446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).