7-fluoro-2-methyl-3,3-diphenyl-1H-isoindole

C21H18FN — CID 174603640

IUPAC7-fluoro-2-methyl-3,3-diphenyl-1H-isoindole
SMILESCN1Cc2c(F)cccc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18FN/c1-23-15-18-19(13-8-14-20(18)22)21(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14H,15H2,1H3
InChIKeyJUHUCYBEFYPUSK-UHFFFAOYSA-N
MW303.38 g/mol
LogP4.56
Rot. Bonds2

About 7-fluoro-2-methyl-3,3-diphenyl-1H-isoindole

7-fluoro-2-methyl-3,3-diphenyl-1H-isoindole (PubChem CID 174603640) has the molecular formula C21H18FN and a molecular weight of 303.38 g/mol. Its IUPAC name is 7-fluoro-2-methyl-3,3-diphenyl-1H-isoindole.

Molecular Properties

Compound Name7-fluoro-2-methyl-3,3-diphenyl-1H-isoindole
PubChem CID174603640
Molecular FormulaC21H18FN
Molecular Weight303.38 g/mol
Exact Mass303.14
IUPAC Name7-fluoro-2-methyl-3,3-diphenyl-1H-isoindole
SMILESCN1Cc2c(F)cccc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18FN/c1-23-15-18-19(13-8-14-20(18)22)21(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14H,15H2,1H3
InChIKeyJUHUCYBEFYPUSK-UHFFFAOYSA-N
XLogP4.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-fluoro-9,9-diphenylfluorene
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(2R)-1,2-dimethyl-2-phenylaziridine
CID 102030003
3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol
CID 13469603
(3S,4S)-3-(2-fluorophenyl)-1-methyl-4-phenylpiperidin-4-ol
CID 54168039
9-(2-fluorophenyl)-9-phenylfluorene
CID 102442885
1,1,2-trimethyl-3H-isoindole-4-carboxylic acid
CID 175349699
4-fluoro-2-phenyl-3H-1,2-benzothiazole 1-oxide
CID 67567175
1-(2,6-difluorophenyl)-3-methyl-3-phenylpiperazine
CID 64926018
4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid
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4-fluoro-1-methyl-2,3-dihydroindole
CID 59466275

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-3,3-diphenyl-1H-isoindole?
The IUPAC name of 7-fluoro-2-methyl-3,3-diphenyl-1H-isoindole (CID 174603640) is 7-fluoro-2-methyl-3,3-diphenyl-1H-isoindole.
What is the SMILES notation for 7-fluoro-2-methyl-3,3-diphenyl-1H-isoindole?
The canonical SMILES for 7-fluoro-2-methyl-3,3-diphenyl-1H-isoindole is CN1Cc2c(F)cccc2C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 7-fluoro-2-methyl-3,3-diphenyl-1H-isoindole?
The InChIKey is JUHUCYBEFYPUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN/c1-23-15-18-19(13-8-14-20(18)22)21(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14H,15H2,1H3.
What are the key properties of 7-fluoro-2-methyl-3,3-diphenyl-1H-isoindole?
7-fluoro-2-methyl-3,3-diphenyl-1H-isoindole has a molecular weight of 303.38 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-3,3-diphenyl-1H-isoindole is sourced from PubChem (CID 174603640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).