5-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole

C15H13ClFN — CID 178141813

IUPAC5-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole
SMILESFc1cccc(Cl)c1Cc1ccc2c(c1)CNC2
InChIInChI=1S/C15H13ClFN/c16-14-2-1-3-15(17)13(14)7-10-4-5-11-8-18-9-12(11)6-10/h1-6,18H,7-9H2
InChIKeyCTZRPSGTJFYOJL-UHFFFAOYSA-N
MW261.73 g/mol
LogP3.67
Rot. Bonds2

About 5-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole

5-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole (PubChem CID 178141813) has the molecular formula C15H13ClFN and a molecular weight of 261.73 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole
PubChem CID178141813
Molecular FormulaC15H13ClFN
Molecular Weight261.73 g/mol
Exact Mass261.07
IUPAC Name5-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole
SMILESFc1cccc(Cl)c1Cc1ccc2c(c1)CNC2
InChIInChI=1S/C15H13ClFN/c16-14-2-1-3-15(17)13(14)7-10-4-5-11-8-18-9-12(11)6-10/h1-6,18H,7-9H2
InChIKeyCTZRPSGTJFYOJL-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 178142063
1-(2,4-dichloro-5-fluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)ethanamine
CID 139013842
CID 167462330
CID 167462330
2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952082
3-[2-(2-chloro-6-fluorophenyl)ethyl]azetidine
CID 130901330
1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 22195379
5-amino-2-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrimidine-4,6-dione
CID 82171081
7-[2-(2-chloro-6-fluorophenyl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 174826354
2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroisoquinolin-2-ium
CID 8877070
4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
CID 62786575
1-[(2-chloro-6-fluorophenyl)methyl]-1,5-diazocane
CID 95049087
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718315

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole (CID 178141813) is 5-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole is Fc1cccc(Cl)c1Cc1ccc2c(c1)CNC2.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole?
The InChIKey is CTZRPSGTJFYOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN/c16-14-2-1-3-15(17)13(14)7-10-4-5-11-8-18-9-12(11)6-10/h1-6,18H,7-9H2.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole?
5-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole has a molecular weight of 261.73 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 178141813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).