benzyl 2,3-difluorobenzoate

C14H10F2O2 — CID 62867579

IUPACbenzyl 2,3-difluorobenzoate
SMILESO=C(OCc1ccccc1)c1cccc(F)c1F
InChIInChI=1S/C14H10F2O2/c15-12-8-4-7-11(13(12)16)14(17)18-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyXOVNNOPLBZCVOF-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.32
Rot. Bonds3

About benzyl 2,3-difluorobenzoate

benzyl 2,3-difluorobenzoate (PubChem CID 62867579) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is benzyl 2,3-difluorobenzoate.

Molecular Properties

Compound Namebenzyl 2,3-difluorobenzoate
PubChem CID62867579
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Namebenzyl 2,3-difluorobenzoate
SMILESO=C(OCc1ccccc1)c1cccc(F)c1F
InChIInChI=1S/C14H10F2O2/c15-12-8-4-7-11(13(12)16)14(17)18-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyXOVNNOPLBZCVOF-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 2-fluoro-3-hydroxybenzoate
CID 561298
benzyl 2-fluoro-3-nitrobenzoate
CID 169449001
ethyl 2,3-difluorobenzoate
CID 2761174
benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate
CID 172557349
(4-bromophenyl)methyl 2-fluorobenzoate
CID 2347288
benzyl 2-(dimethylamino)benzoate
CID 58143131
2,3,4-trifluoro-N-phenylmethoxybenzamide
CID 79749238
(3-methoxyphenyl)methyl 2-fluorobenzoate
CID 57332820
copper(1+);2-phenylmethoxycarbonylbenzoate
CID 158888431
benzyl 2-fluoro-1H-pyrrole-3-carboxylate
CID 132545837
benzyl 2-(difluoromethoxy)benzoate
CID 55327292
2-fluoro-4-phenylmethoxycarbonylbenzoic acid
CID 59295092

Frequently Asked Questions

What is the IUPAC name of benzyl 2,3-difluorobenzoate?
The IUPAC name of benzyl 2,3-difluorobenzoate (CID 62867579) is benzyl 2,3-difluorobenzoate.
What is the SMILES notation for benzyl 2,3-difluorobenzoate?
The canonical SMILES for benzyl 2,3-difluorobenzoate is O=C(OCc1ccccc1)c1cccc(F)c1F.
What is the InChIKey of benzyl 2,3-difluorobenzoate?
The InChIKey is XOVNNOPLBZCVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c15-12-8-4-7-11(13(12)16)14(17)18-9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of benzyl 2,3-difluorobenzoate?
benzyl 2,3-difluorobenzoate has a molecular weight of 248.23 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,3-difluorobenzoate is sourced from PubChem (CID 62867579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).