methane;methyl carbonofluoridate

C3H7FO2 — CID 158866686

IUPACmethane;methyl carbonofluoridate
SMILESC.COC(=O)F
InChIInChI=1S/C2H3FO2.CH4/c1-5-2(3)4;/h1H3;1H4
InChIKeyJBHZQFDUPQANNK-UHFFFAOYSA-N
MW94.08 g/mol
LogP1.36
Rot. Bonds

About methane;methyl carbonofluoridate

methane;methyl carbonofluoridate (PubChem CID 158866686) has the molecular formula C3H7FO2 and a molecular weight of 94.08 g/mol. Its IUPAC name is methane;methyl carbonofluoridate.

Molecular Properties

Compound Namemethane;methyl carbonofluoridate
PubChem CID158866686
Molecular FormulaC3H7FO2
Molecular Weight94.08 g/mol
Exact Mass94.04
IUPAC Namemethane;methyl carbonofluoridate
SMILESC.COC(=O)F
InChIInChI=1S/C2H3FO2.CH4/c1-5-2(3)4;/h1H3;1H4
InChIKeyJBHZQFDUPQANNK-UHFFFAOYSA-N
XLogP1.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.08
LogP ≤ 51.36
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

Carbonofluoridic acid, methyl ester
CID 11665395
Carbonic acid, fluoromethyl methyl ester
CID 11622329
Carbon dioxide;methoxymethane
CID 86017850
CID 102256301
CID 102256301

Frequently Asked Questions

What is the IUPAC name of methane;methyl carbonofluoridate?
The IUPAC name of methane;methyl carbonofluoridate (CID 158866686) is methane;methyl carbonofluoridate.
What is the SMILES notation for methane;methyl carbonofluoridate?
The canonical SMILES for methane;methyl carbonofluoridate is C.COC(=O)F.
What is the InChIKey of methane;methyl carbonofluoridate?
The InChIKey is JBHZQFDUPQANNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3FO2.CH4/c1-5-2(3)4;/h1H3;1H4.
What are the key properties of methane;methyl carbonofluoridate?
methane;methyl carbonofluoridate has a molecular weight of 94.08 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl carbonofluoridate is sourced from PubChem (CID 158866686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).