methoxy carbonofluoridate

C2H3FO3 — CID 172738404

IUPACmethoxy carbonofluoridate
SMILESCOOC(=O)F
InChIInChI=1S/C2H3FO3/c1-5-6-2(3)4/h1H3
InChIKeyITJFGZLAPSCLAD-UHFFFAOYSA-N
MW94.04 g/mol
LogP0.65
Rot. Bonds1

About methoxy carbonofluoridate

methoxy carbonofluoridate (PubChem CID 172738404) has the molecular formula C2H3FO3 and a molecular weight of 94.04 g/mol. Its IUPAC name is methoxy carbonofluoridate.

Molecular Properties

Compound Namemethoxy carbonofluoridate
PubChem CID172738404
Molecular FormulaC2H3FO3
Molecular Weight94.04 g/mol
Exact Mass94.01
IUPAC Namemethoxy carbonofluoridate
SMILESCOOC(=O)F
InChIInChI=1S/C2H3FO3/c1-5-6-2(3)4/h1H3
InChIKeyITJFGZLAPSCLAD-UHFFFAOYSA-N
XLogP0.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.04
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy carbonofluoridate?
The IUPAC name of methoxy carbonofluoridate (CID 172738404) is methoxy carbonofluoridate.
What is the SMILES notation for methoxy carbonofluoridate?
The canonical SMILES for methoxy carbonofluoridate is COOC(=O)F.
What is the InChIKey of methoxy carbonofluoridate?
The InChIKey is ITJFGZLAPSCLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3FO3/c1-5-6-2(3)4/h1H3.
What are the key properties of methoxy carbonofluoridate?
methoxy carbonofluoridate has a molecular weight of 94.04 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy carbonofluoridate is sourced from PubChem (CID 172738404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).