(2,3-dihydroinden-1-ylideneamino) 3-fluorobenzoate

C16H12FNO2 — CID 2807455

IUPAC(2,3-dihydroinden-1-ylideneamino) 3-fluorobenzoate
SMILESO=C(ON=C1CCc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C16H12FNO2/c17-13-6-3-5-12(10-13)16(19)20-18-15-9-8-11-4-1-2-7-14(11)15/h1-7,10H,8-9H2
InChIKeyFSUGMHVOMUBFEG-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.33
Rot. Bonds2

About (2,3-dihydroinden-1-ylideneamino) 3-fluorobenzoate

(2,3-dihydroinden-1-ylideneamino) 3-fluorobenzoate (PubChem CID 2807455) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is (2,3-dihydroinden-1-ylideneamino) 3-fluorobenzoate.

Molecular Properties

Compound Name(2,3-dihydroinden-1-ylideneamino) 3-fluorobenzoate
PubChem CID2807455
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name(2,3-dihydroinden-1-ylideneamino) 3-fluorobenzoate
SMILESO=C(ON=C1CCc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C16H12FNO2/c17-13-6-3-5-12(10-13)16(19)20-18-15-9-8-11-4-1-2-7-14(11)15/h1-7,10H,8-9H2
InChIKeyFSUGMHVOMUBFEG-UHFFFAOYSA-N
XLogP3.33
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.33
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 (2,3-dihydroinden-1-ylideneamino) 3-fluorobenzoate?
The IUPAC name of (2,3-dihydroinden-1-ylideneamino) 3-fluorobenzoate (CID 2807455) is (2,3-dihydroinden-1-ylideneamino) 3-fluorobenzoate.
What is the SMILES notation for (2,3-dihydroinden-1-ylideneamino) 3-fluorobenzoate?
The canonical SMILES for (2,3-dihydroinden-1-ylideneamino) 3-fluorobenzoate is O=C(ON=C1CCc2ccccc21)c1cccc(F)c1.
What is the InChIKey of (2,3-dihydroinden-1-ylideneamino) 3-fluorobenzoate?
The InChIKey is FSUGMHVOMUBFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-13-6-3-5-12(10-13)16(19)20-18-15-9-8-11-4-1-2-7-14(11)15/h1-7,10H,8-9H2.
What are the key properties of (2,3-dihydroinden-1-ylideneamino) 3-fluorobenzoate?
(2,3-dihydroinden-1-ylideneamino) 3-fluorobenzoate has a molecular weight of 269.28 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroinden-1-ylideneamino) 3-fluorobenzoate is sourced from PubChem (CID 2807455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).