1,2,3,4,5-pentachloro-6-(4-fluoro-2-iodophenyl)benzene

C12H3Cl5FI — CID 134628174

IUPAC1,2,3,4,5-pentachloro-6-(4-fluoro-2-iodophenyl)benzene
SMILESFc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(I)c1
InChIInChI=1S/C12H3Cl5FI/c13-8-7(5-2-1-4(18)3-6(5)19)9(14)11(16)12(17)10(8)15/h1-3H
InChIKeyARIUHMFZKAYCEU-UHFFFAOYSA-N
MW470.32 g/mol
LogP7.36
Rot. Bonds1

About 1,2,3,4,5-pentachloro-6-(4-fluoro-2-iodophenyl)benzene

1,2,3,4,5-pentachloro-6-(4-fluoro-2-iodophenyl)benzene (PubChem CID 134628174) has the molecular formula C12H3Cl5FI and a molecular weight of 470.32 g/mol. Its IUPAC name is 1,2,3,4,5-pentachloro-6-(4-fluoro-2-iodophenyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentachloro-6-(4-fluoro-2-iodophenyl)benzene
PubChem CID134628174
Molecular FormulaC12H3Cl5FI
Molecular Weight470.32 g/mol
Exact Mass467.77
IUPAC Name1,2,3,4,5-pentachloro-6-(4-fluoro-2-iodophenyl)benzene
SMILESFc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(I)c1
InChIInChI=1S/C12H3Cl5FI/c13-8-7(5-2-1-4(18)3-6(5)19)9(14)11(16)12(17)10(8)15/h1-3H
InChIKeyARIUHMFZKAYCEU-UHFFFAOYSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.32
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[5-fluoro-2-(2,3,4,5,6-pentachlorophenyl)phenyl]methanamine
CID 134631525
4-fluoro-2-(2,3,4,5,6-pentachlorophenyl)benzonitrile
CID 134630053
1,2,3,4,5-pentachloro-6-(5-fluoro-2-nitrophenyl)benzene
CID 134630100
2-[5-fluoro-2-(2,3,4,5,6-pentachlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134615427
5-fluoro-2-(2,3,4,6-tetrachlorophenyl)benzoic acid
CID 105349853
1-[4-fluoro-2-(2,3,4,5,6-pentachlorophenyl)phenyl]propan-1-one
CID 134615598
1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene
CID 173442446
4,5-difluoro-2-(2,3,4,5,6-pentachlorophenyl)phenol
CID 118800996
1-chloro-4,5-difluoro-2-iodobenzene
CID 56965571
(2-chloro-4-fluorophenyl) thiohypochlorite
CID 86633008
3-fluoro-N,N-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)aniline
CID 118807418
N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769585

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentachloro-6-(4-fluoro-2-iodophenyl)benzene?
The IUPAC name of 1,2,3,4,5-pentachloro-6-(4-fluoro-2-iodophenyl)benzene (CID 134628174) is 1,2,3,4,5-pentachloro-6-(4-fluoro-2-iodophenyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentachloro-6-(4-fluoro-2-iodophenyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentachloro-6-(4-fluoro-2-iodophenyl)benzene is Fc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(I)c1.
What is the InChIKey of 1,2,3,4,5-pentachloro-6-(4-fluoro-2-iodophenyl)benzene?
The InChIKey is ARIUHMFZKAYCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3Cl5FI/c13-8-7(5-2-1-4(18)3-6(5)19)9(14)11(16)12(17)10(8)15/h1-3H.
What are the key properties of 1,2,3,4,5-pentachloro-6-(4-fluoro-2-iodophenyl)benzene?
1,2,3,4,5-pentachloro-6-(4-fluoro-2-iodophenyl)benzene has a molecular weight of 470.32 g/mol, XLogP of 7.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentachloro-6-(4-fluoro-2-iodophenyl)benzene is sourced from PubChem (CID 134628174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).