5-fluoro-4-methyl-2,3-dihydro-1H-isoindole

C9H10FN — CID 130064496

IUPAC5-fluoro-4-methyl-2,3-dihydro-1H-isoindole
SMILESCc1c(F)ccc2c1CNC2
InChIInChI=1S/C9H10FN/c1-6-8-5-11-4-7(8)2-3-9(6)10/h2-3,11H,4-5H2,1H3
InChIKeyKYRBTHRWSFVEMM-UHFFFAOYSA-N
MW151.18 g/mol
LogP1.74
Rot. Bonds

About 5-fluoro-4-methyl-2,3-dihydro-1H-isoindole

5-fluoro-4-methyl-2,3-dihydro-1H-isoindole (PubChem CID 130064496) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-fluoro-4-methyl-2,3-dihydro-1H-isoindole
PubChem CID130064496
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name5-fluoro-4-methyl-2,3-dihydro-1H-isoindole
SMILESCc1c(F)ccc2c1CNC2
InChIInChI=1S/C9H10FN/c1-6-8-5-11-4-7(8)2-3-9(6)10/h2-3,11H,4-5H2,1H3
InChIKeyKYRBTHRWSFVEMM-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-dimethyl-2,3-dihydro-1H-isoindole;ethane
CID 153397787
ethane;4-fluoro-2,3-dihydro-1H-isoindole;methane;methanol;hydrate
CID 143936709
CID 89043112
CID 89043112
4-fluoro-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole
CID 142338406
5-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 59370482
4,6-difluoro-2,3-dihydro-1H-isoindole
CID 117275596
4-methoxy-2,3-dihydro-1H-isoindole-5-carbonitrile
CID 130064527
5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 84652626
3,6-difluoro-2-methylphenol
CID 66721696
4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole
CID 84652151
5,6-difluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 63667541
6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 53418628

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-fluoro-4-methyl-2,3-dihydro-1H-isoindole (CID 130064496) is 5-fluoro-4-methyl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-fluoro-4-methyl-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-fluoro-4-methyl-2,3-dihydro-1H-isoindole is Cc1c(F)ccc2c1CNC2.
What is the InChIKey of 5-fluoro-4-methyl-2,3-dihydro-1H-isoindole?
The InChIKey is KYRBTHRWSFVEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c1-6-8-5-11-4-7(8)2-3-9(6)10/h2-3,11H,4-5H2,1H3.
What are the key properties of 5-fluoro-4-methyl-2,3-dihydro-1H-isoindole?
5-fluoro-4-methyl-2,3-dihydro-1H-isoindole has a molecular weight of 151.18 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 130064496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).