2-(3-bromo-2-methylphenyl)-4-fluoro-1,3-dihydroisoindole

C15H13BrFN — CID 66605425

IUPAC2-(3-bromo-2-methylphenyl)-4-fluoro-1,3-dihydroisoindole
SMILESCc1c(Br)cccc1N1Cc2cccc(F)c2C1
InChIInChI=1S/C15H13BrFN/c1-10-13(16)5-3-7-15(10)18-8-11-4-2-6-14(17)12(11)9-18/h2-7H,8-9H2,1H3
InChIKeyWMCZGNSTJDWPBR-UHFFFAOYSA-N
MW306.18 g/mol
LogP4.42
Rot. Bonds1

About 2-(3-bromo-2-methylphenyl)-4-fluoro-1,3-dihydroisoindole

2-(3-bromo-2-methylphenyl)-4-fluoro-1,3-dihydroisoindole (PubChem CID 66605425) has the molecular formula C15H13BrFN and a molecular weight of 306.18 g/mol. Its IUPAC name is 2-(3-bromo-2-methylphenyl)-4-fluoro-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(3-bromo-2-methylphenyl)-4-fluoro-1,3-dihydroisoindole
PubChem CID66605425
Molecular FormulaC15H13BrFN
Molecular Weight306.18 g/mol
Exact Mass305.02
IUPAC Name2-(3-bromo-2-methylphenyl)-4-fluoro-1,3-dihydroisoindole
SMILESCc1c(Br)cccc1N1Cc2cccc(F)c2C1
InChIInChI=1S/C15H13BrFN/c1-10-13(16)5-3-7-15(10)18-8-11-4-2-6-14(17)12(11)9-18/h2-7H,8-9H2,1H3
InChIKeyWMCZGNSTJDWPBR-UHFFFAOYSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylphenyl)-4-fluoro-1,3-dihydroisoindole?
The IUPAC name of 2-(3-bromo-2-methylphenyl)-4-fluoro-1,3-dihydroisoindole (CID 66605425) is 2-(3-bromo-2-methylphenyl)-4-fluoro-1,3-dihydroisoindole.
What is the SMILES notation for 2-(3-bromo-2-methylphenyl)-4-fluoro-1,3-dihydroisoindole?
The canonical SMILES for 2-(3-bromo-2-methylphenyl)-4-fluoro-1,3-dihydroisoindole is Cc1c(Br)cccc1N1Cc2cccc(F)c2C1.
What is the InChIKey of 2-(3-bromo-2-methylphenyl)-4-fluoro-1,3-dihydroisoindole?
The InChIKey is WMCZGNSTJDWPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN/c1-10-13(16)5-3-7-15(10)18-8-11-4-2-6-14(17)12(11)9-18/h2-7H,8-9H2,1H3.
What are the key properties of 2-(3-bromo-2-methylphenyl)-4-fluoro-1,3-dihydroisoindole?
2-(3-bromo-2-methylphenyl)-4-fluoro-1,3-dihydroisoindole has a molecular weight of 306.18 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylphenyl)-4-fluoro-1,3-dihydroisoindole is sourced from PubChem (CID 66605425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).