dichlorozinc;1,3-difluoro-5-methylbenzene

C7H6Cl2F2Zn — CID 174706993

IUPACdichlorozinc;1,3-difluoro-5-methylbenzene
SMILESCc1cc(F)cc(F)c1.Cl[Zn]Cl
InChIInChI=1S/C7H6F2.2ClH.Zn/c1-5-2-6(8)4-7(9)3-5;;;/h2-4H,1H3;2*1H;/q;;;+2/p-2
InChIKeyGZPBECDCQADUCD-UHFFFAOYSA-L
MW264.42 g/mol
LogP3.65
Rot. Bonds

About dichlorozinc;1,3-difluoro-5-methylbenzene

dichlorozinc;1,3-difluoro-5-methylbenzene (PubChem CID 174706993) has the molecular formula C7H6Cl2F2Zn and a molecular weight of 264.42 g/mol. Its IUPAC name is dichlorozinc;1,3-difluoro-5-methylbenzene.

Molecular Properties

Compound Namedichlorozinc;1,3-difluoro-5-methylbenzene
PubChem CID174706993
Molecular FormulaC7H6Cl2F2Zn
Molecular Weight264.42 g/mol
Exact Mass261.91
IUPAC Namedichlorozinc;1,3-difluoro-5-methylbenzene
SMILESCc1cc(F)cc(F)c1.Cl[Zn]Cl
InChIInChI=1S/C7H6F2.2ClH.Zn/c1-5-2-6(8)4-7(9)3-5;;;/h2-4H,1H3;2*1H;/q;;;+2/p-2
InChIKeyGZPBECDCQADUCD-UHFFFAOYSA-L
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dichlorozinc;1,3-difluoro-5-methylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

acetonitrile;1,3-difluoro-5-methylbenzene
CID 142843655
ethane;1-fluoro-3,5-dimethylbenzene;propane
CID 143107717
bis(3-fluoro-5-methylphenyl)phosphane
CID 11622933
2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 150549971
1-chloro-3,5-difluorobenzene
CID 159732874
(3-fluoro-5-methylphenyl)boronic acid
CID 19261265
potassium trifluoro-(3-fluoro-5-methylphenyl)boranuide
CID 79019835
1-(3-chloropropyl)-3-fluoro-5-methylbenzene
CID 79704910
2-chloro-1-(3-fluoro-5-methylphenyl)ethanone
CID 91636154
2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine
CID 79690163
3-(3,5-difluorophenoxy)-5-methylaniline
CID 112648476
3-(3-fluoro-5-hydroxyphenyl)-5-methylphenol
CID 53218862

Frequently Asked Questions

What is the IUPAC name of dichlorozinc;1,3-difluoro-5-methylbenzene?
The IUPAC name of dichlorozinc;1,3-difluoro-5-methylbenzene (CID 174706993) is dichlorozinc;1,3-difluoro-5-methylbenzene.
What is the SMILES notation for dichlorozinc;1,3-difluoro-5-methylbenzene?
The canonical SMILES for dichlorozinc;1,3-difluoro-5-methylbenzene is Cc1cc(F)cc(F)c1.Cl[Zn]Cl.
What is the InChIKey of dichlorozinc;1,3-difluoro-5-methylbenzene?
The InChIKey is GZPBECDCQADUCD-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H6F2.2ClH.Zn/c1-5-2-6(8)4-7(9)3-5;;;/h2-4H,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozinc;1,3-difluoro-5-methylbenzene?
dichlorozinc;1,3-difluoro-5-methylbenzene has a molecular weight of 264.42 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozinc;1,3-difluoro-5-methylbenzene is sourced from PubChem (CID 174706993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).