4-chloro-7-fluoro-2,3-dihydro-1H-isoindole

C8H7ClFN — CID 90733903

IUPAC4-chloro-7-fluoro-2,3-dihydro-1H-isoindole
SMILESFc1ccc(Cl)c2c1CNC2
InChIInChI=1S/C8H7ClFN/c9-7-1-2-8(10)6-4-11-3-5(6)7/h1-2,11H,3-4H2
InChIKeySAXJUFIIHIKPHF-UHFFFAOYSA-N
MW171.60 g/mol
LogP2.08
Rot. Bonds

About 4-chloro-7-fluoro-2,3-dihydro-1H-isoindole

4-chloro-7-fluoro-2,3-dihydro-1H-isoindole (PubChem CID 90733903) has the molecular formula C8H7ClFN and a molecular weight of 171.60 g/mol. Its IUPAC name is 4-chloro-7-fluoro-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name4-chloro-7-fluoro-2,3-dihydro-1H-isoindole
PubChem CID90733903
Molecular FormulaC8H7ClFN
Molecular Weight171.60 g/mol
Exact Mass171.03
IUPAC Name4-chloro-7-fluoro-2,3-dihydro-1H-isoindole
SMILESFc1ccc(Cl)c2c1CNC2
InChIInChI=1S/C8H7ClFN/c9-7-1-2-8(10)6-4-11-3-5(6)7/h1-2,11H,3-4H2
InChIKeySAXJUFIIHIKPHF-UHFFFAOYSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.60
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-2,3-dihydro-1H-isoindole?
The IUPAC name of 4-chloro-7-fluoro-2,3-dihydro-1H-isoindole (CID 90733903) is 4-chloro-7-fluoro-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 4-chloro-7-fluoro-2,3-dihydro-1H-isoindole?
The canonical SMILES for 4-chloro-7-fluoro-2,3-dihydro-1H-isoindole is Fc1ccc(Cl)c2c1CNC2.
What is the InChIKey of 4-chloro-7-fluoro-2,3-dihydro-1H-isoindole?
The InChIKey is SAXJUFIIHIKPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN/c9-7-1-2-8(10)6-4-11-3-5(6)7/h1-2,11H,3-4H2.
What are the key properties of 4-chloro-7-fluoro-2,3-dihydro-1H-isoindole?
4-chloro-7-fluoro-2,3-dihydro-1H-isoindole has a molecular weight of 171.60 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 90733903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).