2-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one

C15H14FNO — CID 83208201

IUPAC2-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
SMILESO=C1CCCc2cn(Cc3cccc(F)c3)cc21
InChIInChI=1S/C15H14FNO/c16-13-5-1-3-11(7-13)8-17-9-12-4-2-6-15(18)14(12)10-17/h1,3,5,7,9-10H,2,4,6,8H2
InChIKeyJPGLOEJTUZOYTD-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.19
Rot. Bonds2

About 2-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one

2-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one (PubChem CID 83208201) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
PubChem CID83208201
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name2-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
SMILESO=C1CCCc2cn(Cc3cccc(F)c3)cc21
InChIInChI=1S/C15H14FNO/c16-13-5-1-3-11(7-13)8-17-9-12-4-2-6-15(18)14(12)10-17/h1,3,5,7,9-10H,2,4,6,8H2
InChIKeyJPGLOEJTUZOYTD-UHFFFAOYSA-N
XLogP3.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromo-5-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83207714
2-[(2-bromo-4-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83208843
2-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 83206534
2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212678
2-(1,2-oxazol-5-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 83207378
2-[(2-methyl-3-nitrophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83210011
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
2-[(5-chloro-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83209123
2-[(Z)-3-chloro-2-methylprop-2-enyl]-6,7-dihydro-5H-isoindol-4-one
CID 106439586
1-[(3-fluorophenyl)methyl]pyridin-4-imine;hydrochloride
CID 16682222
5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one
CID 115114391
2-octyl-6,7-dihydro-5H-isoindol-4-one
CID 83208596

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one (CID 83208201) is 2-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one is O=C1CCCc2cn(Cc3cccc(F)c3)cc21.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one?
The InChIKey is JPGLOEJTUZOYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-13-5-1-3-11(7-13)8-17-9-12-4-2-6-15(18)14(12)10-17/h1,3,5,7,9-10H,2,4,6,8H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one?
2-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one has a molecular weight of 243.28 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-isoindol-4-one is sourced from PubChem (CID 83208201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).