ethyl difluoroboranylformate

C3H5BF2O2 — CID 16661516

IUPACethyl difluoroboranylformate
SMILESCCOC(=O)B(F)F
InChIInChI=1S/C3H5BF2O2/c1-2-8-3(7)4(5)6/h2H2,1H3
InChIKeyWTAWQOKOVMIANI-UHFFFAOYSA-N
MW121.88 g/mol
LogP1.15
Rot. Bonds2

About ethyl difluoroboranylformate

ethyl difluoroboranylformate (PubChem CID 16661516) has the molecular formula C3H5BF2O2 and a molecular weight of 121.88 g/mol. Its IUPAC name is ethyl difluoroboranylformate.

Molecular Properties

Compound Nameethyl difluoroboranylformate
PubChem CID16661516
Molecular FormulaC3H5BF2O2
Molecular Weight121.88 g/mol
Exact Mass122.04
IUPAC Nameethyl difluoroboranylformate
SMILESCCOC(=O)B(F)F
InChIInChI=1S/C3H5BF2O2/c1-2-8-3(7)4(5)6/h2H2,1H3
InChIKeyWTAWQOKOVMIANI-UHFFFAOYSA-N
XLogP1.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.88
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl difluoroboranylformate?
The IUPAC name of ethyl difluoroboranylformate (CID 16661516) is ethyl difluoroboranylformate.
What is the SMILES notation for ethyl difluoroboranylformate?
The canonical SMILES for ethyl difluoroboranylformate is CCOC(=O)B(F)F.
What is the InChIKey of ethyl difluoroboranylformate?
The InChIKey is WTAWQOKOVMIANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BF2O2/c1-2-8-3(7)4(5)6/h2H2,1H3.
What are the key properties of ethyl difluoroboranylformate?
ethyl difluoroboranylformate has a molecular weight of 121.88 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl difluoroboranylformate is sourced from PubChem (CID 16661516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).