1-chloro-4,5-difluoro-2-iodobenzene

C6H2ClF2I — CID 56965571

IUPAC1-chloro-4,5-difluoro-2-iodobenzene
SMILESFc1cc(Cl)c(I)cc1F
InChIInChI=1S/C6H2ClF2I/c7-3-1-4(8)5(9)2-6(3)10/h1-2H
InChIKeyVCOUCZFUPYEBRY-UHFFFAOYSA-N
MW274.44 g/mol
LogP3.22
Rot. Bonds

About 1-chloro-4,5-difluoro-2-iodobenzene

1-chloro-4,5-difluoro-2-iodobenzene (PubChem CID 56965571) has the molecular formula C6H2ClF2I and a molecular weight of 274.44 g/mol. Its IUPAC name is 1-chloro-4,5-difluoro-2-iodobenzene.

Molecular Properties

Compound Name1-chloro-4,5-difluoro-2-iodobenzene
PubChem CID56965571
Molecular FormulaC6H2ClF2I
Molecular Weight274.44 g/mol
Exact Mass273.89
IUPAC Name1-chloro-4,5-difluoro-2-iodobenzene
SMILESFc1cc(Cl)c(I)cc1F
InChIInChI=1S/C6H2ClF2I/c7-3-1-4(8)5(9)2-6(3)10/h1-2H
InChIKeyVCOUCZFUPYEBRY-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-fluoro-2-iodo-5-(trifluoromethoxy)benzene
CID 171002272
1-chloro-2,4,5-triiodobenzene
CID 102056311
1-bromo-5-chloro-4-fluoro-2-iodobenzene
CID 50998080
1-bromo-2-chloro-4,5-difluorobenzene
CID 2773255
1-chloro-5-fluoro-4-iodo-2-methoxybenzene
CID 22625607
1-bromo-4-chloro-5-fluoro-2-iodobenzene
CID 50999479
5-chloro-4-fluoro-2-iodobenzoyl chloride
CID 171003642
1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171002131
1-chloro-2-ethenyl-4,5-difluorobenzene
CID 175575459
1,5-dichloro-3-fluoro-2-iodobenzene
CID 50998607
1-chloro-2-fluoro-4-iodobenzene
CID 2736563
1,5-dichloro-2-fluoro-3-iodobenzene
CID 121228334

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4,5-difluoro-2-iodobenzene?
The IUPAC name of 1-chloro-4,5-difluoro-2-iodobenzene (CID 56965571) is 1-chloro-4,5-difluoro-2-iodobenzene.
What is the SMILES notation for 1-chloro-4,5-difluoro-2-iodobenzene?
The canonical SMILES for 1-chloro-4,5-difluoro-2-iodobenzene is Fc1cc(Cl)c(I)cc1F.
What is the InChIKey of 1-chloro-4,5-difluoro-2-iodobenzene?
The InChIKey is VCOUCZFUPYEBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF2I/c7-3-1-4(8)5(9)2-6(3)10/h1-2H.
What are the key properties of 1-chloro-4,5-difluoro-2-iodobenzene?
1-chloro-4,5-difluoro-2-iodobenzene has a molecular weight of 274.44 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4,5-difluoro-2-iodobenzene is sourced from PubChem (CID 56965571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).