benzyl 2-(difluoromethoxy)benzoate

C15H12F2O3 — CID 55327292

IUPACbenzyl 2-(difluoromethoxy)benzoate
SMILESO=C(OCc1ccccc1)c1ccccc1OC(F)F
InChIInChI=1S/C15H12F2O3/c16-15(17)20-13-9-5-4-8-12(13)14(18)19-10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKeyRQQWPDKYRHHKLJ-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.64
Rot. Bonds5

About benzyl 2-(difluoromethoxy)benzoate

benzyl 2-(difluoromethoxy)benzoate (PubChem CID 55327292) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is benzyl 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Namebenzyl 2-(difluoromethoxy)benzoate
PubChem CID55327292
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Namebenzyl 2-(difluoromethoxy)benzoate
SMILESO=C(OCc1ccccc1)c1ccccc1OC(F)F
InChIInChI=1S/C15H12F2O3/c16-15(17)20-13-9-5-4-8-12(13)14(18)19-10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKeyRQQWPDKYRHHKLJ-UHFFFAOYSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-2-phenylethanone
CID 61079927
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
CID 55327358
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
benzyl 9-oxofluorene-4-carboxylate
CID 21241008
1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate
CID 18192162
[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate
CID 8539985
benzyl 2-(2-methylprop-2-enoyloxy)benzoate;ethane
CID 153361081
[2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327319
benzyl 2-(dimethylamino)benzoate
CID 58143131
benzyl 2,3-difluorobenzoate
CID 62867579
benzyl 2-fluoro-3-hydroxybenzoate
CID 561298
(1-propyltetrazol-5-yl)methyl 2-(difluoromethoxy)benzoate
CID 55399271

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(difluoromethoxy)benzoate?
The IUPAC name of benzyl 2-(difluoromethoxy)benzoate (CID 55327292) is benzyl 2-(difluoromethoxy)benzoate.
What is the SMILES notation for benzyl 2-(difluoromethoxy)benzoate?
The canonical SMILES for benzyl 2-(difluoromethoxy)benzoate is O=C(OCc1ccccc1)c1ccccc1OC(F)F.
What is the InChIKey of benzyl 2-(difluoromethoxy)benzoate?
The InChIKey is RQQWPDKYRHHKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c16-15(17)20-13-9-5-4-8-12(13)14(18)19-10-11-6-2-1-3-7-11/h1-9,15H,10H2.
What are the key properties of benzyl 2-(difluoromethoxy)benzoate?
benzyl 2-(difluoromethoxy)benzoate has a molecular weight of 278.25 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 55327292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).