4-chloro-5-ethyl-6-fluoro-2,3-dihydro-1H-isoindole

C10H11ClFN — CID 118491455

IUPAC4-chloro-5-ethyl-6-fluoro-2,3-dihydro-1H-isoindole
SMILESCCc1c(F)cc2c(c1Cl)CNC2
InChIInChI=1S/C10H11ClFN/c1-2-7-9(12)3-6-4-13-5-8(6)10(7)11/h3,13H,2,4-5H2,1H3
InChIKeyAKIVPZHKXWUHCG-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.64
Rot. Bonds1

About 4-chloro-5-ethyl-6-fluoro-2,3-dihydro-1H-isoindole

4-chloro-5-ethyl-6-fluoro-2,3-dihydro-1H-isoindole (PubChem CID 118491455) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-fluoro-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-fluoro-2,3-dihydro-1H-isoindole
PubChem CID118491455
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name4-chloro-5-ethyl-6-fluoro-2,3-dihydro-1H-isoindole
SMILESCCc1c(F)cc2c(c1Cl)CNC2
InChIInChI=1S/C10H11ClFN/c1-2-7-9(12)3-6-4-13-5-8(6)10(7)11/h3,13H,2,4-5H2,1H3
InChIKeyAKIVPZHKXWUHCG-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-fluoro-2,3-dihydro-1H-isoindole?
The IUPAC name of 4-chloro-5-ethyl-6-fluoro-2,3-dihydro-1H-isoindole (CID 118491455) is 4-chloro-5-ethyl-6-fluoro-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 4-chloro-5-ethyl-6-fluoro-2,3-dihydro-1H-isoindole?
The canonical SMILES for 4-chloro-5-ethyl-6-fluoro-2,3-dihydro-1H-isoindole is CCc1c(F)cc2c(c1Cl)CNC2.
What is the InChIKey of 4-chloro-5-ethyl-6-fluoro-2,3-dihydro-1H-isoindole?
The InChIKey is AKIVPZHKXWUHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c1-2-7-9(12)3-6-4-13-5-8(6)10(7)11/h3,13H,2,4-5H2,1H3.
What are the key properties of 4-chloro-5-ethyl-6-fluoro-2,3-dihydro-1H-isoindole?
4-chloro-5-ethyl-6-fluoro-2,3-dihydro-1H-isoindole has a molecular weight of 199.66 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-fluoro-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 118491455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).