5-fluoro-2-[(4-methylphenyl)methyl]-1,3-dihydroisoindole

C16H16FN — CID 91561495

IUPAC5-fluoro-2-[(4-methylphenyl)methyl]-1,3-dihydroisoindole
SMILESCc1ccc(CN2Cc3ccc(F)cc3C2)cc1
InChIInChI=1S/C16H16FN/c1-12-2-4-13(5-3-12)9-18-10-14-6-7-16(17)8-15(14)11-18/h2-8H,9-11H2,1H3
InChIKeySFDXZJGVZXUNLG-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.65
Rot. Bonds2

About 5-fluoro-2-[(4-methylphenyl)methyl]-1,3-dihydroisoindole

5-fluoro-2-[(4-methylphenyl)methyl]-1,3-dihydroisoindole (PubChem CID 91561495) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methylphenyl)methyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-fluoro-2-[(4-methylphenyl)methyl]-1,3-dihydroisoindole
PubChem CID91561495
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name5-fluoro-2-[(4-methylphenyl)methyl]-1,3-dihydroisoindole
SMILESCc1ccc(CN2Cc3ccc(F)cc3C2)cc1
InChIInChI=1S/C16H16FN/c1-12-2-4-13(5-3-12)9-18-10-14-6-7-16(17)8-15(14)11-18/h2-8H,9-11H2,1H3
InChIKeySFDXZJGVZXUNLG-UHFFFAOYSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methylphenyl)methyl]-1,3-dihydroisoindole?
The IUPAC name of 5-fluoro-2-[(4-methylphenyl)methyl]-1,3-dihydroisoindole (CID 91561495) is 5-fluoro-2-[(4-methylphenyl)methyl]-1,3-dihydroisoindole.
What is the SMILES notation for 5-fluoro-2-[(4-methylphenyl)methyl]-1,3-dihydroisoindole?
The canonical SMILES for 5-fluoro-2-[(4-methylphenyl)methyl]-1,3-dihydroisoindole is Cc1ccc(CN2Cc3ccc(F)cc3C2)cc1.
What is the InChIKey of 5-fluoro-2-[(4-methylphenyl)methyl]-1,3-dihydroisoindole?
The InChIKey is SFDXZJGVZXUNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c1-12-2-4-13(5-3-12)9-18-10-14-6-7-16(17)8-15(14)11-18/h2-8H,9-11H2,1H3.
What are the key properties of 5-fluoro-2-[(4-methylphenyl)methyl]-1,3-dihydroisoindole?
5-fluoro-2-[(4-methylphenyl)methyl]-1,3-dihydroisoindole has a molecular weight of 241.31 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-methylphenyl)methyl]-1,3-dihydroisoindole is sourced from PubChem (CID 91561495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).