1-chloro-2-fluoro-3-methylbenzene;diiodozinc

C7H6ClFI2Zn — CID 174784139

IUPAC1-chloro-2-fluoro-3-methylbenzene;diiodozinc
SMILESCc1cccc(Cl)c1F.I[Zn]I
InChIInChI=1S/C7H6ClF.2HI.Zn/c1-5-3-2-4-6(8)7(5)9;;;/h2-4H,1H3;2*1H;/q;;;+2/p-2
InChIKeyYXCWOFPDCKRZOK-UHFFFAOYSA-L
MW463.77 g/mol
LogP4.56
Rot. Bonds

About 1-chloro-2-fluoro-3-methylbenzene;diiodozinc

1-chloro-2-fluoro-3-methylbenzene;diiodozinc (PubChem CID 174784139) has the molecular formula C7H6ClFI2Zn and a molecular weight of 463.77 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3-methylbenzene;diiodozinc.

Molecular Properties

Compound Name1-chloro-2-fluoro-3-methylbenzene;diiodozinc
PubChem CID174784139
Molecular FormulaC7H6ClFI2Zn
Molecular Weight463.77 g/mol
Exact Mass461.75
IUPAC Name1-chloro-2-fluoro-3-methylbenzene;diiodozinc
SMILESCc1cccc(Cl)c1F.I[Zn]I
InChIInChI=1S/C7H6ClF.2HI.Zn/c1-5-3-2-4-6(8)7(5)9;;;/h2-4H,1H3;2*1H;/q;;;+2/p-2
InChIKeyYXCWOFPDCKRZOK-UHFFFAOYSA-L
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.77
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chloromethane;2-fluoro-1,3-dimethylbenzene
CID 144572529
CID 66838097
CID 66838097
1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride
CID 174739801
1-chloro-2,3-difluorobenzene
CID 157449386
1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene
CID 130411639
1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene
CID 143923368
(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 64713808
1-(3-chloro-2-fluorophenyl)-3-(2-methylphenyl)propan-2-ol
CID 82803418
1-chloro-2-methylbenzene;dihydrochloride
CID 174485339
3-chloro-2-fluoro-N,N-dimethylaniline
CID 138495185
(3-chloro-2-fluorophenyl)azanium
CID 144971362
(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513399

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-3-methylbenzene;diiodozinc?
The IUPAC name of 1-chloro-2-fluoro-3-methylbenzene;diiodozinc (CID 174784139) is 1-chloro-2-fluoro-3-methylbenzene;diiodozinc.
What is the SMILES notation for 1-chloro-2-fluoro-3-methylbenzene;diiodozinc?
The canonical SMILES for 1-chloro-2-fluoro-3-methylbenzene;diiodozinc is Cc1cccc(Cl)c1F.I[Zn]I.
What is the InChIKey of 1-chloro-2-fluoro-3-methylbenzene;diiodozinc?
The InChIKey is YXCWOFPDCKRZOK-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H6ClF.2HI.Zn/c1-5-3-2-4-6(8)7(5)9;;;/h2-4H,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of 1-chloro-2-fluoro-3-methylbenzene;diiodozinc?
1-chloro-2-fluoro-3-methylbenzene;diiodozinc has a molecular weight of 463.77 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-3-methylbenzene;diiodozinc is sourced from PubChem (CID 174784139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).