4-chloro-2-(2-fluoroethyl)-1,3-dihydroisoindole

C10H11ClFN — CID 130643452

IUPAC4-chloro-2-(2-fluoroethyl)-1,3-dihydroisoindole
SMILESFCCN1Cc2cccc(Cl)c2C1
InChIInChI=1S/C10H11ClFN/c11-10-3-1-2-8-6-13(5-4-12)7-9(8)10/h1-3H,4-7H2
InChIKeyMQPURMIQWZWUBX-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.63
Rot. Bonds2

About 4-chloro-2-(2-fluoroethyl)-1,3-dihydroisoindole

4-chloro-2-(2-fluoroethyl)-1,3-dihydroisoindole (PubChem CID 130643452) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 4-chloro-2-(2-fluoroethyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name4-chloro-2-(2-fluoroethyl)-1,3-dihydroisoindole
PubChem CID130643452
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name4-chloro-2-(2-fluoroethyl)-1,3-dihydroisoindole
SMILESFCCN1Cc2cccc(Cl)c2C1
InChIInChI=1S/C10H11ClFN/c11-10-3-1-2-8-6-13(5-4-12)7-9(8)10/h1-3H,4-7H2
InChIKeyMQPURMIQWZWUBX-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-fluoroethyl)-1,3-dihydroisoindole?
The IUPAC name of 4-chloro-2-(2-fluoroethyl)-1,3-dihydroisoindole (CID 130643452) is 4-chloro-2-(2-fluoroethyl)-1,3-dihydroisoindole.
What is the SMILES notation for 4-chloro-2-(2-fluoroethyl)-1,3-dihydroisoindole?
The canonical SMILES for 4-chloro-2-(2-fluoroethyl)-1,3-dihydroisoindole is FCCN1Cc2cccc(Cl)c2C1.
What is the InChIKey of 4-chloro-2-(2-fluoroethyl)-1,3-dihydroisoindole?
The InChIKey is MQPURMIQWZWUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c11-10-3-1-2-8-6-13(5-4-12)7-9(8)10/h1-3H,4-7H2.
What are the key properties of 4-chloro-2-(2-fluoroethyl)-1,3-dihydroisoindole?
4-chloro-2-(2-fluoroethyl)-1,3-dihydroisoindole has a molecular weight of 199.66 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-fluoroethyl)-1,3-dihydroisoindole is sourced from PubChem (CID 130643452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).