methyl carbonofluoridate

C2H3FO2 — CID 11665395

IUPACmethyl carbonofluoridate
SMILESCOC(=O)F
InChIInChI=1S/C2H3FO2/c1-5-2(3)4/h1H3
InChIKeyYGJMWVCEUNWDOU-UHFFFAOYSA-N
MW78.04 g/mol
LogP0.72
Rot. Bonds

About methyl carbonofluoridate

methyl carbonofluoridate (PubChem CID 11665395) has the molecular formula C2H3FO2 and a molecular weight of 78.04 g/mol. Its IUPAC name is methyl carbonofluoridate.

Molecular Properties

Compound Namemethyl carbonofluoridate
PubChem CID11665395
Molecular FormulaC2H3FO2
Molecular Weight78.04 g/mol
Exact Mass78.01
IUPAC Namemethyl carbonofluoridate
SMILESCOC(=O)F
InChIInChI=1S/C2H3FO2/c1-5-2(3)4/h1H3
InChIKeyYGJMWVCEUNWDOU-UHFFFAOYSA-N
XLogP0.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.04
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Fluoromethyl carbonofluoridate
CID 10887833
Fluoro methyl carbonate
CID 18542805
Methoxy carbonofluoridate
CID 172738404
Methane;methyl carbonofluoridate
CID 158866686
CID 102256301
CID 102256301

Frequently Asked Questions

What is the IUPAC name of methyl carbonofluoridate?
The IUPAC name of methyl carbonofluoridate (CID 11665395) is methyl carbonofluoridate.
What is the SMILES notation for methyl carbonofluoridate?
The canonical SMILES for methyl carbonofluoridate is COC(=O)F.
What is the InChIKey of methyl carbonofluoridate?
The InChIKey is YGJMWVCEUNWDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3FO2/c1-5-2(3)4/h1H3.
What are the key properties of methyl carbonofluoridate?
methyl carbonofluoridate has a molecular weight of 78.04 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl carbonofluoridate is sourced from PubChem (CID 11665395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).