benzyl 2-(difluoromethoxy)acetate

C10H10F2O3 — CID 67270747

IUPACbenzyl 2-(difluoromethoxy)acetate
SMILESO=C(COC(F)F)OCc1ccccc1
InChIInChI=1S/C10H10F2O3/c11-10(12)15-7-9(13)14-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyRYKKJPDBCIAJIB-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.97
Rot. Bonds5

About benzyl 2-(difluoromethoxy)acetate

benzyl 2-(difluoromethoxy)acetate (PubChem CID 67270747) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is benzyl 2-(difluoromethoxy)acetate.

Molecular Properties

Compound Namebenzyl 2-(difluoromethoxy)acetate
PubChem CID67270747
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Namebenzyl 2-(difluoromethoxy)acetate
SMILESO=C(COC(F)F)OCc1ccccc1
InChIInChI=1S/C10H10F2O3/c11-10(12)15-7-9(13)14-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyRYKKJPDBCIAJIB-UHFFFAOYSA-N
XLogP1.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(difluoromethoxy)acetate?
The IUPAC name of benzyl 2-(difluoromethoxy)acetate (CID 67270747) is benzyl 2-(difluoromethoxy)acetate.
What is the SMILES notation for benzyl 2-(difluoromethoxy)acetate?
The canonical SMILES for benzyl 2-(difluoromethoxy)acetate is O=C(COC(F)F)OCc1ccccc1.
What is the InChIKey of benzyl 2-(difluoromethoxy)acetate?
The InChIKey is RYKKJPDBCIAJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c11-10(12)15-7-9(13)14-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2.
What are the key properties of benzyl 2-(difluoromethoxy)acetate?
benzyl 2-(difluoromethoxy)acetate has a molecular weight of 216.18 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(difluoromethoxy)acetate is sourced from PubChem (CID 67270747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).