prop-2-enyl 2-fluoroacetate

C5H7FO2 — CID 9842

IUPACprop-2-enyl 2-fluoroacetate
SMILESC=CCOC(=O)CF
InChIInChI=1S/C5H7FO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2
InChIKeyKPJCWOXNYPYSPJ-UHFFFAOYSA-N
MW118.11 g/mol
LogP0.69
Rot. Bonds3

About prop-2-enyl 2-fluoroacetate

prop-2-enyl 2-fluoroacetate (PubChem CID 9842) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is prop-2-enyl 2-fluoroacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-fluoroacetate
PubChem CID9842
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Nameprop-2-enyl 2-fluoroacetate
SMILESC=CCOC(=O)CF
InChIInChI=1S/C5H7FO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2
InChIKeyKPJCWOXNYPYSPJ-UHFFFAOYSA-N
XLogP0.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Allyl acetate
CID 11584
Allyl propionate
CID 61319
Allyl acrylate
CID 13835
Allyl trifluoroacetate
CID 67845
2,2,2-Trifluoroethyl acrylate
CID 67889
2-Propenyl fluoroformate
CID 11506446
Crotyl alcohol, trifluoroacetate
CID 11829824
Acetic acid, iodo-, 2-propenyl ester
CID 11458782
3,3-Difluoroallyl acetate
CID 538005
Propiolic acid, allyl ester
CID 84443
2-Butenyl trifluoroacetate
CID 57372535
Allyl pentafluoropropionate
CID 100874

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-fluoroacetate?
The IUPAC name of prop-2-enyl 2-fluoroacetate (CID 9842) is prop-2-enyl 2-fluoroacetate.
What is the SMILES notation for prop-2-enyl 2-fluoroacetate?
The canonical SMILES for prop-2-enyl 2-fluoroacetate is C=CCOC(=O)CF.
What is the InChIKey of prop-2-enyl 2-fluoroacetate?
The InChIKey is KPJCWOXNYPYSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2.
What are the key properties of prop-2-enyl 2-fluoroacetate?
prop-2-enyl 2-fluoroacetate has a molecular weight of 118.11 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-fluoroacetate is sourced from PubChem (CID 9842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).