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

C8H7ClFN — CID 16783865

IUPAC4-chloro-7-fluoro-2,3-dihydro-1H-indole
SMILESFc1ccc(Cl)c2c1NCC2
InChIInChI=1S/C8H7ClFN/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-2,11H,3-4H2
InChIKeyJHILRMYIDSYRQC-UHFFFAOYSA-N
MW171.60 g/mol
LogP2.45
Rot. Bonds

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

4-chloro-7-fluoro-2,3-dihydro-1H-indole (PubChem CID 16783865) 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-indole.

Molecular Properties

Compound Name4-chloro-7-fluoro-2,3-dihydro-1H-indole
PubChem CID16783865
Molecular FormulaC8H7ClFN
Molecular Weight171.60 g/mol
Exact Mass171.03
IUPAC Name4-chloro-7-fluoro-2,3-dihydro-1H-indole
SMILESFc1ccc(Cl)c2c1NCC2
InChIInChI=1S/C8H7ClFN/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-2,11H,3-4H2
InChIKeyJHILRMYIDSYRQC-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-7-fluoro-2,3-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-2,3-dihydro-1H-indole?
The IUPAC name of 4-chloro-7-fluoro-2,3-dihydro-1H-indole (CID 16783865) is 4-chloro-7-fluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-chloro-7-fluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 4-chloro-7-fluoro-2,3-dihydro-1H-indole is Fc1ccc(Cl)c2c1NCC2.
What is the InChIKey of 4-chloro-7-fluoro-2,3-dihydro-1H-indole?
The InChIKey is JHILRMYIDSYRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-2,11H,3-4H2.
What are the key properties of 4-chloro-7-fluoro-2,3-dihydro-1H-indole?
4-chloro-7-fluoro-2,3-dihydro-1H-indole has a molecular weight of 171.60 g/mol, XLogP of 2.45, 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-indole is sourced from PubChem (CID 16783865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).