4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene

C12H12ClF — CID 142833104

IUPAC4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene
SMILESCc1cc2c(cc1F)CC(C)C=C2Cl
InChIInChI=1S/C12H12ClF/c1-7-3-9-6-12(14)8(2)5-10(9)11(13)4-7/h4-7H,3H2,1-2H3
InChIKeyZMFJWRDYCDYGCE-UHFFFAOYSA-N
MW210.68 g/mol
LogP3.91
Rot. Bonds

About 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene

4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene (PubChem CID 142833104) has the molecular formula C12H12ClF and a molecular weight of 210.68 g/mol. Its IUPAC name is 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene
PubChem CID142833104
Molecular FormulaC12H12ClF
Molecular Weight210.68 g/mol
Exact Mass210.06
IUPAC Name4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene
SMILESCc1cc2c(cc1F)CC(C)C=C2Cl
InChIInChI=1S/C12H12ClF/c1-7-3-9-6-12(14)8(2)5-10(9)11(13)4-7/h4-7H,3H2,1-2H3
InChIKeyZMFJWRDYCDYGCE-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.68
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene 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-2,6-dimethyl-1,2-dihydronaphthalene?
The IUPAC name of 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene (CID 142833104) is 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene.
What is the SMILES notation for 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene?
The canonical SMILES for 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene is Cc1cc2c(cc1F)CC(C)C=C2Cl.
What is the InChIKey of 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene?
The InChIKey is ZMFJWRDYCDYGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF/c1-7-3-9-6-12(14)8(2)5-10(9)11(13)4-7/h4-7H,3H2,1-2H3.
What are the key properties of 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene?
4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene has a molecular weight of 210.68 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene is sourced from PubChem (CID 142833104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).