fluoromethoxycarbonyl propanoate

C5H7FO4 — CID 153367272

IUPACfluoromethoxycarbonyl propanoate
SMILESCCC(=O)OC(=O)OCF
InChIInChI=1S/C5H7FO4/c1-2-4(7)10-5(8)9-3-6/h2-3H2,1H3
InChIKeyBQGBMQWAOLCFHN-UHFFFAOYSA-N
MW150.10 g/mol
LogP1.00
Rot. Bonds2

About fluoromethoxycarbonyl propanoate

fluoromethoxycarbonyl propanoate (PubChem CID 153367272) has the molecular formula C5H7FO4 and a molecular weight of 150.10 g/mol. Its IUPAC name is fluoromethoxycarbonyl propanoate.

Molecular Properties

Compound Namefluoromethoxycarbonyl propanoate
PubChem CID153367272
Molecular FormulaC5H7FO4
Molecular Weight150.10 g/mol
Exact Mass150.03
IUPAC Namefluoromethoxycarbonyl propanoate
SMILESCCC(=O)OC(=O)OCF
InChIInChI=1S/C5H7FO4/c1-2-4(7)10-5(8)9-3-6/h2-3H2,1H3
InChIKeyBQGBMQWAOLCFHN-UHFFFAOYSA-N
XLogP1.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoromethoxycarbonyl propanoate?
The IUPAC name of fluoromethoxycarbonyl propanoate (CID 153367272) is fluoromethoxycarbonyl propanoate.
What is the SMILES notation for fluoromethoxycarbonyl propanoate?
The canonical SMILES for fluoromethoxycarbonyl propanoate is CCC(=O)OC(=O)OCF.
What is the InChIKey of fluoromethoxycarbonyl propanoate?
The InChIKey is BQGBMQWAOLCFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO4/c1-2-4(7)10-5(8)9-3-6/h2-3H2,1H3.
What are the key properties of fluoromethoxycarbonyl propanoate?
fluoromethoxycarbonyl propanoate has a molecular weight of 150.10 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethoxycarbonyl propanoate is sourced from PubChem (CID 153367272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).