5-chloro-1-fluoro-4H-indene

C9H6ClF — CID 57286153

IUPAC5-chloro-1-fluoro-4H-indene
SMILESFC1=CC=C2CC(Cl)=CC=C12
InChIInChI=1S/C9H6ClF/c10-7-2-3-8-6(5-7)1-4-9(8)11/h1-4H,5H2
InChIKeyYHRLJBDVXLDNLB-UHFFFAOYSA-N
MW168.60 g/mol
LogP3.23
Rot. Bonds

About 5-chloro-1-fluoro-4H-indene

5-chloro-1-fluoro-4H-indene (PubChem CID 57286153) has the molecular formula C9H6ClF and a molecular weight of 168.60 g/mol. Its IUPAC name is 5-chloro-1-fluoro-4H-indene.

Molecular Properties

Compound Name5-chloro-1-fluoro-4H-indene
PubChem CID57286153
Molecular FormulaC9H6ClF
Molecular Weight168.60 g/mol
Exact Mass168.01
IUPAC Name5-chloro-1-fluoro-4H-indene
SMILESFC1=CC=C2CC(Cl)=CC=C12
InChIInChI=1S/C9H6ClF/c10-7-2-3-8-6(5-7)1-4-9(8)11/h1-4H,5H2
InChIKeyYHRLJBDVXLDNLB-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.60
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-chloro-1-fluoro-4H-indene 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 5-chloro-1-fluoro-4H-indene?
The IUPAC name of 5-chloro-1-fluoro-4H-indene (CID 57286153) is 5-chloro-1-fluoro-4H-indene.
What is the SMILES notation for 5-chloro-1-fluoro-4H-indene?
The canonical SMILES for 5-chloro-1-fluoro-4H-indene is FC1=CC=C2CC(Cl)=CC=C12.
What is the InChIKey of 5-chloro-1-fluoro-4H-indene?
The InChIKey is YHRLJBDVXLDNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF/c10-7-2-3-8-6(5-7)1-4-9(8)11/h1-4H,5H2.
What are the key properties of 5-chloro-1-fluoro-4H-indene?
5-chloro-1-fluoro-4H-indene has a molecular weight of 168.60 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-fluoro-4H-indene is sourced from PubChem (CID 57286153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).