[2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate

C18H10F2O5 — CID 91716966

IUPAC[2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate
SMILESO=C(Oc1ccccc1OC(=O)c1c(F)cccc1F)c1ccco1
InChIInChI=1S/C18H10F2O5/c19-11-5-3-6-12(20)16(11)18(22)25-14-8-2-1-7-13(14)24-17(21)15-9-4-10-23-15/h1-10H
InChIKeyJRKSYKFDPRJBPI-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.00
Rot. Bonds4

About [2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate

[2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate (PubChem CID 91716966) has the molecular formula C18H10F2O5 and a molecular weight of 344.27 g/mol. Its IUPAC name is [2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate
PubChem CID91716966
Molecular FormulaC18H10F2O5
Molecular Weight344.27 g/mol
Exact Mass344.05
IUPAC Name[2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate
SMILESO=C(Oc1ccccc1OC(=O)c1c(F)cccc1F)c1ccco1
InChIInChI=1S/C18H10F2O5/c19-11-5-3-6-12(20)16(11)18(22)25-14-8-2-1-7-13(14)24-17(21)15-9-4-10-23-15/h1-10H
InChIKeyJRKSYKFDPRJBPI-UHFFFAOYSA-N
XLogP4.00
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-hydroxynaphthalen-1-yl) furan-2-carboxylate
CID 7314053
(2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate
CID 91700644
[2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate
CID 91700525
[2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate
CID 91715138
methyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate
CID 141376921
[2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate
CID 91700704
(2-oxo-1H-pyridin-3-yl) furan-2-carboxylate
CID 44583499
(2,4-dichlorophenyl) furan-2-carboxylate
CID 3880755
[2-(propanoylamino)phenyl] furan-2-carboxylate
CID 23010896
(2-iodo-3-methoxyphenyl) 2-fluoro-6-methoxybenzoate
CID 14629513
[2-(furan-2-carbonylamino)-3-pyridinyl] furan-2-carboxylate
CID 17018639
(3-chloro-4-pyridinyl) furan-2-carboxylate
CID 23182895

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate?
The IUPAC name of [2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate (CID 91716966) is [2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate.
What is the SMILES notation for [2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate?
The canonical SMILES for [2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate is O=C(Oc1ccccc1OC(=O)c1c(F)cccc1F)c1ccco1.
What is the InChIKey of [2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate?
The InChIKey is JRKSYKFDPRJBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2O5/c19-11-5-3-6-12(20)16(11)18(22)25-14-8-2-1-7-13(14)24-17(21)15-9-4-10-23-15/h1-10H.
What are the key properties of [2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate?
[2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate has a molecular weight of 344.27 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate is sourced from PubChem (CID 91716966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).