cyclobutyl carbonofluoridate

C5H7FO2 — CID 126746202

IUPACcyclobutyl carbonofluoridate
SMILESO=C(F)OC1CCC1
InChIInChI=1S/C5H7FO2/c6-5(7)8-4-2-1-3-4/h4H,1-3H2
InChIKeyLTKWJSPAQPHNQL-UHFFFAOYSA-N
MW118.11 g/mol
LogP1.64
Rot. Bonds1

About cyclobutyl carbonofluoridate

cyclobutyl carbonofluoridate (PubChem CID 126746202) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is cyclobutyl carbonofluoridate.

Molecular Properties

Compound Namecyclobutyl carbonofluoridate
PubChem CID126746202
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Namecyclobutyl carbonofluoridate
SMILESO=C(F)OC1CCC1
InChIInChI=1S/C5H7FO2/c6-5(7)8-4-2-1-3-4/h4H,1-3H2
InChIKeyLTKWJSPAQPHNQL-UHFFFAOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl carbonofluoridate?
The IUPAC name of cyclobutyl carbonofluoridate (CID 126746202) is cyclobutyl carbonofluoridate.
What is the SMILES notation for cyclobutyl carbonofluoridate?
The canonical SMILES for cyclobutyl carbonofluoridate is O=C(F)OC1CCC1.
What is the InChIKey of cyclobutyl carbonofluoridate?
The InChIKey is LTKWJSPAQPHNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2/c6-5(7)8-4-2-1-3-4/h4H,1-3H2.
What are the key properties of cyclobutyl carbonofluoridate?
cyclobutyl carbonofluoridate has a molecular weight of 118.11 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl carbonofluoridate is sourced from PubChem (CID 126746202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).