3-[2-(4-fluorophenyl)ethylidene]isoindol-1-one

C16H12FNO — CID 5078446

IUPAC3-[2-(4-fluorophenyl)ethylidene]isoindol-1-one
SMILESO=C1NC(=CCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H12FNO/c17-12-8-5-11(6-9-12)7-10-15-13-3-1-2-4-14(13)16(19)18-15/h1-6,8-10H,7H2,(H,18,19)
InChIKeyYHELONRDVMTWDF-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.15
Rot. Bonds2

About 3-[2-(4-fluorophenyl)ethylidene]isoindol-1-one

3-[2-(4-fluorophenyl)ethylidene]isoindol-1-one (PubChem CID 5078446) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethylidene]isoindol-1-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethylidene]isoindol-1-one
PubChem CID5078446
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name3-[2-(4-fluorophenyl)ethylidene]isoindol-1-one
SMILESO=C1NC(=CCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H12FNO/c17-12-8-5-11(6-9-12)7-10-15-13-3-1-2-4-14(13)16(19)18-15/h1-6,8-10H,7H2,(H,18,19)
InChIKeyYHELONRDVMTWDF-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethylidene]isoindol-1-one?
The IUPAC name of 3-[2-(4-fluorophenyl)ethylidene]isoindol-1-one (CID 5078446) is 3-[2-(4-fluorophenyl)ethylidene]isoindol-1-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethylidene]isoindol-1-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethylidene]isoindol-1-one is O=C1NC(=CCc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethylidene]isoindol-1-one?
The InChIKey is YHELONRDVMTWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c17-12-8-5-11(6-9-12)7-10-15-13-3-1-2-4-14(13)16(19)18-15/h1-6,8-10H,7H2,(H,18,19).
What are the key properties of 3-[2-(4-fluorophenyl)ethylidene]isoindol-1-one?
3-[2-(4-fluorophenyl)ethylidene]isoindol-1-one has a molecular weight of 253.28 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethylidene]isoindol-1-one is sourced from PubChem (CID 5078446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).