2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol

C13H4F5I2NO — CID 136744615

IUPAC2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol
SMILESOc1c(I)cc(I)cc1/C=N/c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H4F5I2NO/c14-7-8(15)10(17)12(11(18)9(7)16)21-3-4-1-5(19)2-6(20)13(4)22/h1-3,22H/b21-3+
InChIKeyVDYQMLWYSDMDOX-WSVFEZOKSA-N
MW538.98 g/mol
LogP5.05
Rot. Bonds2

About 2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol

2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol (PubChem CID 136744615) has the molecular formula C13H4F5I2NO and a molecular weight of 538.98 g/mol. Its IUPAC name is 2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol
PubChem CID136744615
Molecular FormulaC13H4F5I2NO
Molecular Weight538.98 g/mol
Exact Mass538.83
IUPAC Name2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol
SMILESOc1c(I)cc(I)cc1/C=N/c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H4F5I2NO/c14-7-8(15)10(17)12(11(18)9(7)16)21-3-4-1-5(19)2-6(20)13(4)22/h1-3,22H/b21-3+
InChIKeyVDYQMLWYSDMDOX-WSVFEZOKSA-N
XLogP5.05
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.98
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol
CID 3640337
2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol
CID 4092564
2-[(4-anilinophenyl)iminomethyl]-4,6-diiodophenol
CID 171981187
2,4-diiodo-6-[(4-phenyldiazenylphenyl)iminomethyl]phenol
CID 5076612
2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4,6-diiodophenol
CID 5059865
2,4-diiodo-6-[(E)-1,2,4-triazol-4-yliminomethyl]phenol
CID 135411964
2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol
CID 136912130
2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol
CID 3915695
2-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-diiodophenol
CID 3096685
4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 135894860
2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4,6-diiodophenol
CID 136678691
copper 2,4,6-triiodophenol
CID 54602337

Frequently Asked Questions

What is the IUPAC name of 2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol?
The IUPAC name of 2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol (CID 136744615) is 2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol is Oc1c(I)cc(I)cc1/C=N/c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol?
The InChIKey is VDYQMLWYSDMDOX-WSVFEZOKSA-N. The full InChI is InChI=1S/C13H4F5I2NO/c14-7-8(15)10(17)12(11(18)9(7)16)21-3-4-1-5(19)2-6(20)13(4)22/h1-3,22H/b21-3+.
What are the key properties of 2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol?
2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol has a molecular weight of 538.98 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodo-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]phenol is sourced from PubChem (CID 136744615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).