[(1,3-dioxoinden-2-ylidene)amino] 4-fluorobenzoate

C16H8FNO4 — CID 19034331

IUPAC[(1,3-dioxoinden-2-ylidene)amino] 4-fluorobenzoate
SMILESO=C(ON=c1c(=O)c2ccccc2c1=O)c1ccc(F)cc1
InChIInChI=1S/C16H8FNO4/c17-10-7-5-9(6-8-10)16(21)22-18-13-14(19)11-3-1-2-4-12(11)15(13)20/h1-8H
InChIKeyHWOJRNFSHWNSPM-UHFFFAOYSA-N
MW297.24 g/mol
LogP1.25
Rot. Bonds2

About [(1,3-dioxoinden-2-ylidene)amino] 4-fluorobenzoate

[(1,3-dioxoinden-2-ylidene)amino] 4-fluorobenzoate (PubChem CID 19034331) has the molecular formula C16H8FNO4 and a molecular weight of 297.24 g/mol. Its IUPAC name is [(1,3-dioxoinden-2-ylidene)amino] 4-fluorobenzoate.

Molecular Properties

Compound Name[(1,3-dioxoinden-2-ylidene)amino] 4-fluorobenzoate
PubChem CID19034331
Molecular FormulaC16H8FNO4
Molecular Weight297.24 g/mol
Exact Mass297.04
IUPAC Name[(1,3-dioxoinden-2-ylidene)amino] 4-fluorobenzoate
SMILESO=C(ON=c1c(=O)c2ccccc2c1=O)c1ccc(F)cc1
InChIInChI=1S/C16H8FNO4/c17-10-7-5-9(6-8-10)16(21)22-18-13-14(19)11-3-1-2-4-12(11)15(13)20/h1-8H
InChIKeyHWOJRNFSHWNSPM-UHFFFAOYSA-N
XLogP1.25
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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9H-fluoren-9-one O-(2-fluorobenzoyl)oxime
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(2,3-Dihydroinden-1-ylideneamino) 3-fluorobenzoate
CID 2807455
[(Z)-2,3-dihydroinden-1-ylideneamino] 3-fluorobenzoate
CID 5714256
[(E)-1-(2-prop-2-enylphenyl)ethylideneamino] 2,3,4,5,6-pentafluorobenzoate
CID 11314671
[(E)-1-(2-prop-2-enylphenyl)propylideneamino] 2,3,4,5,6-pentafluorobenzoate
CID 15497429
[(E)-(6-oxo-3-tricyclo[6.2.1.02,7]undeca-4,9-dienylidene)amino] benzoate
CID 15215989
Fluoren-9-ylideneazamethyl 3-fluorobenzoate
CID 781877
(Fluoren-9-ylideneamino) 4-fluorobenzoate
CID 824109
4-fluorobenzoic acid (3,4-dihydro-2H-naphthalen-1-ylideneamino) ester
CID 1489353

Frequently Asked Questions

What is the IUPAC name of [(1,3-dioxoinden-2-ylidene)amino] 4-fluorobenzoate?
The IUPAC name of [(1,3-dioxoinden-2-ylidene)amino] 4-fluorobenzoate (CID 19034331) is [(1,3-dioxoinden-2-ylidene)amino] 4-fluorobenzoate.
What is the SMILES notation for [(1,3-dioxoinden-2-ylidene)amino] 4-fluorobenzoate?
The canonical SMILES for [(1,3-dioxoinden-2-ylidene)amino] 4-fluorobenzoate is O=C(ON=c1c(=O)c2ccccc2c1=O)c1ccc(F)cc1.
What is the InChIKey of [(1,3-dioxoinden-2-ylidene)amino] 4-fluorobenzoate?
The InChIKey is HWOJRNFSHWNSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8FNO4/c17-10-7-5-9(6-8-10)16(21)22-18-13-14(19)11-3-1-2-4-12(11)15(13)20/h1-8H.
What are the key properties of [(1,3-dioxoinden-2-ylidene)amino] 4-fluorobenzoate?
[(1,3-dioxoinden-2-ylidene)amino] 4-fluorobenzoate has a molecular weight of 297.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,3-dioxoinden-2-ylidene)amino] 4-fluorobenzoate is sourced from PubChem (CID 19034331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).