1-(4-chlorophenyl)sulfanyl-5-fluoro-2,3-diiodobenzene

C12H6ClFI2S — CID 162397535

IUPAC1-(4-chlorophenyl)sulfanyl-5-fluoro-2,3-diiodobenzene
SMILESFc1cc(I)c(I)c(Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H6ClFI2S/c13-7-1-3-9(4-2-7)17-11-6-8(14)5-10(15)12(11)16/h1-6H
InChIKeyUTVJDQKQXCTLAS-UHFFFAOYSA-N
MW490.51 g/mol
LogP5.84
Rot. Bonds2

About 1-(4-chlorophenyl)sulfanyl-5-fluoro-2,3-diiodobenzene

1-(4-chlorophenyl)sulfanyl-5-fluoro-2,3-diiodobenzene (PubChem CID 162397535) has the molecular formula C12H6ClFI2S and a molecular weight of 490.51 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-5-fluoro-2,3-diiodobenzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-5-fluoro-2,3-diiodobenzene
PubChem CID162397535
Molecular FormulaC12H6ClFI2S
Molecular Weight490.51 g/mol
Exact Mass489.80
IUPAC Name1-(4-chlorophenyl)sulfanyl-5-fluoro-2,3-diiodobenzene
SMILESFc1cc(I)c(I)c(Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H6ClFI2S/c13-7-1-3-9(4-2-7)17-11-6-8(14)5-10(15)12(11)16/h1-6H
InChIKeyUTVJDQKQXCTLAS-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.51
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine
CID 55180213
5-(4-chlorophenyl)sulfanyl-2-iodoaniline
CID 91876706
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064
5-chloro-2-(4-chlorophenyl)sulfanylphenol
CID 21430256
1-bromo-4-(4-chlorophenyl)sulfanyl-2-iodobenzene
CID 91876647
1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene
CID 22947184
4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene
CID 14223180
1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine
CID 43286131
2-(4-chlorophenyl)sulfanyl-4-methylphenol
CID 21411344
2-(3,4-difluorophenyl)sulfanyl-4,6-difluoroaniline
CID 115507603
2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1H-pyrrole
CID 10960055
4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene
CID 91876660

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-5-fluoro-2,3-diiodobenzene?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-5-fluoro-2,3-diiodobenzene (CID 162397535) is 1-(4-chlorophenyl)sulfanyl-5-fluoro-2,3-diiodobenzene.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-5-fluoro-2,3-diiodobenzene?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-5-fluoro-2,3-diiodobenzene is Fc1cc(I)c(I)c(Sc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-5-fluoro-2,3-diiodobenzene?
The InChIKey is UTVJDQKQXCTLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFI2S/c13-7-1-3-9(4-2-7)17-11-6-8(14)5-10(15)12(11)16/h1-6H.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-5-fluoro-2,3-diiodobenzene?
1-(4-chlorophenyl)sulfanyl-5-fluoro-2,3-diiodobenzene has a molecular weight of 490.51 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-5-fluoro-2,3-diiodobenzene is sourced from PubChem (CID 162397535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).