(fluoren-9-ylideneamino) 3-fluorobenzoate

C20H12FNO2 — CID 781877

IUPAC(fluoren-9-ylideneamino) 3-fluorobenzoate
SMILESO=C(ON=C1c2ccccc2-c2ccccc21)c1cccc(F)c1
InChIInChI=1S/C20H12FNO2/c21-14-7-5-6-13(12-14)20(23)24-22-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)19/h1-12H
InChIKeyFMVMKHJYRDVWAF-UHFFFAOYSA-N
MW317.32 g/mol
LogP4.42
Rot. Bonds2

About (fluoren-9-ylideneamino) 3-fluorobenzoate

(fluoren-9-ylideneamino) 3-fluorobenzoate (PubChem CID 781877) has the molecular formula C20H12FNO2 and a molecular weight of 317.32 g/mol. Its IUPAC name is (fluoren-9-ylideneamino) 3-fluorobenzoate.

Molecular Properties

Compound Name(fluoren-9-ylideneamino) 3-fluorobenzoate
PubChem CID781877
Molecular FormulaC20H12FNO2
Molecular Weight317.32 g/mol
Exact Mass317.09
IUPAC Name(fluoren-9-ylideneamino) 3-fluorobenzoate
SMILESO=C(ON=C1c2ccccc2-c2ccccc21)c1cccc(F)c1
InChIInChI=1S/C20H12FNO2/c21-14-7-5-6-13(12-14)20(23)24-22-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)19/h1-12H
InChIKeyFMVMKHJYRDVWAF-UHFFFAOYSA-N
XLogP4.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (fluoren-9-ylideneamino) 3-fluorobenzoate?
The IUPAC name of (fluoren-9-ylideneamino) 3-fluorobenzoate (CID 781877) is (fluoren-9-ylideneamino) 3-fluorobenzoate.
What is the SMILES notation for (fluoren-9-ylideneamino) 3-fluorobenzoate?
The canonical SMILES for (fluoren-9-ylideneamino) 3-fluorobenzoate is O=C(ON=C1c2ccccc2-c2ccccc21)c1cccc(F)c1.
What is the InChIKey of (fluoren-9-ylideneamino) 3-fluorobenzoate?
The InChIKey is FMVMKHJYRDVWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FNO2/c21-14-7-5-6-13(12-14)20(23)24-22-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)19/h1-12H.
What are the key properties of (fluoren-9-ylideneamino) 3-fluorobenzoate?
(fluoren-9-ylideneamino) 3-fluorobenzoate has a molecular weight of 317.32 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (fluoren-9-ylideneamino) 3-fluorobenzoate is sourced from PubChem (CID 781877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).