fluoromethyl carbonofluoridate

C2H2F2O2 — CID 10887833

IUPACfluoromethyl carbonofluoridate
SMILESO=C(F)OCF
InChIInChI=1S/C2H2F2O2/c3-1-6-2(4)5/h1H2
InChIKeyLMICRVWCWYLKJK-UHFFFAOYSA-N
MW96.03 g/mol
LogP1.02
Rot. Bonds1

About fluoromethyl carbonofluoridate

fluoromethyl carbonofluoridate (PubChem CID 10887833) has the molecular formula C2H2F2O2 and a molecular weight of 96.03 g/mol. Its IUPAC name is fluoromethyl carbonofluoridate.

Molecular Properties

Compound Namefluoromethyl carbonofluoridate
PubChem CID10887833
Molecular FormulaC2H2F2O2
Molecular Weight96.03 g/mol
Exact Mass96.00
IUPAC Namefluoromethyl carbonofluoridate
SMILESO=C(F)OCF
InChIInChI=1S/C2H2F2O2/c3-1-6-2(4)5/h1H2
InChIKeyLMICRVWCWYLKJK-UHFFFAOYSA-N
XLogP1.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.03
LogP ≤ 51.02
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
Fluoromethanoic acid difluoromethyl ester
CID 12713324
Carbon dioxide;difluoromethoxy(difluoro)methane
CID 88791514
Difluoromethyl fluoro carbonate
CID 175146613
CID 102256301
CID 102256301

Frequently Asked Questions

What is the IUPAC name of fluoromethyl carbonofluoridate?
The IUPAC name of fluoromethyl carbonofluoridate (CID 10887833) is fluoromethyl carbonofluoridate.
What is the SMILES notation for fluoromethyl carbonofluoridate?
The canonical SMILES for fluoromethyl carbonofluoridate is O=C(F)OCF.
What is the InChIKey of fluoromethyl carbonofluoridate?
The InChIKey is LMICRVWCWYLKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F2O2/c3-1-6-2(4)5/h1H2.
What are the key properties of fluoromethyl carbonofluoridate?
fluoromethyl carbonofluoridate has a molecular weight of 96.03 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl carbonofluoridate is sourced from PubChem (CID 10887833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).