4-chloro-1-fluorocyclohepta-1,2,4,6-tetraene

C7H4ClF — CID 89136298

IUPAC4-chloro-1-fluorocyclohepta-1,2,4,6-tetraene
SMILESFC1=C=CC(Cl)=CC=C1
InChIInChI=1S/C7H4ClF/c8-6-2-1-3-7(9)5-4-6/h1-4H
InChIKeyPABFHYWKONFLFH-UHFFFAOYSA-N
MW142.56 g/mol
LogP2.69
Rot. Bonds

About 4-chloro-1-fluorocyclohepta-1,2,4,6-tetraene

4-chloro-1-fluorocyclohepta-1,2,4,6-tetraene (PubChem CID 89136298) has the molecular formula C7H4ClF and a molecular weight of 142.56 g/mol. Its IUPAC name is 4-chloro-1-fluorocyclohepta-1,2,4,6-tetraene.

Molecular Properties

Compound Name4-chloro-1-fluorocyclohepta-1,2,4,6-tetraene
PubChem CID89136298
Molecular FormulaC7H4ClF
Molecular Weight142.56 g/mol
Exact Mass142.00
IUPAC Name4-chloro-1-fluorocyclohepta-1,2,4,6-tetraene
SMILESFC1=C=CC(Cl)=CC=C1
InChIInChI=1S/C7H4ClF/c8-6-2-1-3-7(9)5-4-6/h1-4H
InChIKeyPABFHYWKONFLFH-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.56
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-chloro-1-fluorocyclohepta-1,2,4,6-tetraene 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-1-fluorocyclohepta-1,2,4,6-tetraene?
The IUPAC name of 4-chloro-1-fluorocyclohepta-1,2,4,6-tetraene (CID 89136298) is 4-chloro-1-fluorocyclohepta-1,2,4,6-tetraene.
What is the SMILES notation for 4-chloro-1-fluorocyclohepta-1,2,4,6-tetraene?
The canonical SMILES for 4-chloro-1-fluorocyclohepta-1,2,4,6-tetraene is FC1=C=CC(Cl)=CC=C1.
What is the InChIKey of 4-chloro-1-fluorocyclohepta-1,2,4,6-tetraene?
The InChIKey is PABFHYWKONFLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF/c8-6-2-1-3-7(9)5-4-6/h1-4H.
What are the key properties of 4-chloro-1-fluorocyclohepta-1,2,4,6-tetraene?
4-chloro-1-fluorocyclohepta-1,2,4,6-tetraene has a molecular weight of 142.56 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-fluorocyclohepta-1,2,4,6-tetraene is sourced from PubChem (CID 89136298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).