acetyloxymethyl 2-fluoroacetate

C5H7FO4 — CID 59319829

IUPACacetyloxymethyl 2-fluoroacetate
SMILESCC(=O)OCOC(=O)CF
InChIInChI=1S/C5H7FO4/c1-4(7)9-3-10-5(8)2-6/h2-3H2,1H3
InChIKeyPBZMOHJXZNVGNJ-UHFFFAOYSA-N
MW150.10 g/mol
LogP0.02
Rot. Bonds3

About acetyloxymethyl 2-fluoroacetate

acetyloxymethyl 2-fluoroacetate (PubChem CID 59319829) has the molecular formula C5H7FO4 and a molecular weight of 150.10 g/mol. Its IUPAC name is acetyloxymethyl 2-fluoroacetate.

Molecular Properties

Compound Nameacetyloxymethyl 2-fluoroacetate
PubChem CID59319829
Molecular FormulaC5H7FO4
Molecular Weight150.10 g/mol
Exact Mass150.03
IUPAC Nameacetyloxymethyl 2-fluoroacetate
SMILESCC(=O)OCOC(=O)CF
InChIInChI=1S/C5H7FO4/c1-4(7)9-3-10-5(8)2-6/h2-3H2,1H3
InChIKeyPBZMOHJXZNVGNJ-UHFFFAOYSA-N
XLogP0.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Methanol, 1,1-diethoxy-, 1-acetate
CID 84166
Methyl diacetate
CID 12345
Methanol, 1,1'-oxybis-, 1,1'-diacetate
CID 77701
Formyloxymethyl acetate
CID 14816416
Triacetoxymethane
CID 10241612
[Acetyloxy(iodo)methyl] acetate
CID 134892476
2-Fluoroethoxymethyl methyl carbonate
CID 58051865
Ethoxycarbonyl 2-fluoroacetate
CID 58570820
Methoxymethyl 2-fluoroacetate
CID 59271158
Fluoromethoxymethyl acetate
CID 60102136
Trimethoxymethyl 2,2-difluoroacetate
CID 87157139
Diethoxymethyl 2,2,2-trifluoroacetate
CID 87157148

Frequently Asked Questions

What is the IUPAC name of acetyloxymethyl 2-fluoroacetate?
The IUPAC name of acetyloxymethyl 2-fluoroacetate (CID 59319829) is acetyloxymethyl 2-fluoroacetate.
What is the SMILES notation for acetyloxymethyl 2-fluoroacetate?
The canonical SMILES for acetyloxymethyl 2-fluoroacetate is CC(=O)OCOC(=O)CF.
What is the InChIKey of acetyloxymethyl 2-fluoroacetate?
The InChIKey is PBZMOHJXZNVGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO4/c1-4(7)9-3-10-5(8)2-6/h2-3H2,1H3.
What are the key properties of acetyloxymethyl 2-fluoroacetate?
acetyloxymethyl 2-fluoroacetate has a molecular weight of 150.10 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethyl 2-fluoroacetate is sourced from PubChem (CID 59319829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).