2-(2,5-difluorophenyl)-1,3-dihydroisoindole

C14H11F2N — CID 22638395

IUPAC2-(2,5-difluorophenyl)-1,3-dihydroisoindole
SMILESFc1ccc(F)c(N2Cc3ccccc3C2)c1
InChIInChI=1S/C14H11F2N/c15-12-5-6-13(16)14(7-12)17-8-10-3-1-2-4-11(10)9-17/h1-7H,8-9H2
InChIKeyJIGKPAQCLDQIPC-UHFFFAOYSA-N
MW231.25 g/mol
LogP3.48
Rot. Bonds1

About 2-(2,5-difluorophenyl)-1,3-dihydroisoindole

2-(2,5-difluorophenyl)-1,3-dihydroisoindole (PubChem CID 22638395) has the molecular formula C14H11F2N and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1,3-dihydroisoindole
PubChem CID22638395
Molecular FormulaC14H11F2N
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-(2,5-difluorophenyl)-1,3-dihydroisoindole
SMILESFc1ccc(F)c(N2Cc3ccccc3C2)c1
InChIInChI=1S/C14H11F2N/c15-12-5-6-13(16)14(7-12)17-8-10-3-1-2-4-11(10)9-17/h1-7H,8-9H2
InChIKeyJIGKPAQCLDQIPC-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine
CID 55049952
[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol
CID 62206262
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoroaniline
CID 62375892
1-(2,5-difluorophenyl)piperidine
CID 22638080
2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline
CID 62205545
2-(2,4-difluorophenyl)-1,3-dihydroisoindol-5-amine
CID 43370159
2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole
CID 954409
1-(2,5-difluorophenyl)piperidin-4-ol
CID 141069702
2-(2-fluoro-5-methylphenyl)-1,3-dihydroisoindol-5-amine
CID 43370222
1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 62206765
5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzonitrile
CID 63668880
2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole
CID 114846605

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(2,5-difluorophenyl)-1,3-dihydroisoindole (CID 22638395) is 2-(2,5-difluorophenyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(2,5-difluorophenyl)-1,3-dihydroisoindole is Fc1ccc(F)c(N2Cc3ccccc3C2)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1,3-dihydroisoindole?
The InChIKey is JIGKPAQCLDQIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N/c15-12-5-6-13(16)14(7-12)17-8-10-3-1-2-4-11(10)9-17/h1-7H,8-9H2.
What are the key properties of 2-(2,5-difluorophenyl)-1,3-dihydroisoindole?
2-(2,5-difluorophenyl)-1,3-dihydroisoindole has a molecular weight of 231.25 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1,3-dihydroisoindole is sourced from PubChem (CID 22638395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).