10b-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one

C17H14FNO2 — CID 14592321

IUPAC10b-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
SMILESO=C1c2ccccc2C2(c3ccc(F)cc3)OCCCN12
InChIInChI=1S/C17H14FNO2/c18-13-8-6-12(7-9-13)17-15-5-2-1-4-14(15)16(20)19(17)10-3-11-21-17/h1-2,4-9H,3,10-11H2
InChIKeyIQZFNHVWZUWLEJ-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.90
Rot. Bonds1

About 10b-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one

10b-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one (PubChem CID 14592321) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 10b-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one.

Molecular Properties

Compound Name10b-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
PubChem CID14592321
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name10b-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
SMILESO=C1c2ccccc2C2(c3ccc(F)cc3)OCCCN12
InChIInChI=1S/C17H14FNO2/c18-13-8-6-12(7-9-13)17-15-5-2-1-4-14(15)16(20)19(17)10-3-11-21-17/h1-2,4-9H,3,10-11H2
InChIKeyIQZFNHVWZUWLEJ-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10b-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
The IUPAC name of 10b-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one (CID 14592321) is 10b-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one.
What is the SMILES notation for 10b-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
The canonical SMILES for 10b-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one is O=C1c2ccccc2C2(c3ccc(F)cc3)OCCCN12.
What is the InChIKey of 10b-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
The InChIKey is IQZFNHVWZUWLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c18-13-8-6-12(7-9-13)17-15-5-2-1-4-14(15)16(20)19(17)10-3-11-21-17/h1-2,4-9H,3,10-11H2.
What are the key properties of 10b-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
10b-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one has a molecular weight of 283.30 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-(4-fluorophenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one is sourced from PubChem (CID 14592321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).