1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine

C18H8F5IN2 — CID 139175725

IUPAC1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine
SMILESFc1c(F)c(F)c(I)c(F)c1F.c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C12H8N2.C6F5I/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;7-1-2(8)4(10)6(12)5(11)3(1)9/h1-8H;
InChIKeyGOWOGTWKOTWQCM-UHFFFAOYSA-N
MW474.17 g/mol
LogP5.77
Rot. Bonds

About 1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine

1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine (PubChem CID 139175725) has the molecular formula C18H8F5IN2 and a molecular weight of 474.17 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine
PubChem CID139175725
Molecular FormulaC18H8F5IN2
Molecular Weight474.17 g/mol
Exact Mass473.97
IUPAC Name1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine
SMILESFc1c(F)c(F)c(I)c(F)c1F.c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C12H8N2.C6F5I/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;7-1-2(8)4(10)6(12)5(11)3(1)9/h1-8H;
InChIKeyGOWOGTWKOTWQCM-UHFFFAOYSA-N
XLogP5.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.17
LogP ≤ 55.77
H-Bond Donors ≤ 50
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

phenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene
CID 139178593
phenazine;silver
CID 175026023
hydron;phenazine
CID 175446889
1,2,3,4-tetrafluoroquinoxalino[2,3-b]quinoxaline
CID 58084932
bis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139179229
4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139205206
diphenyl-bis(2,3,4,5-tetrafluoro-6-iodophenyl)germane
CID 635664
1,2,4,5-tetrafluoro-3,6-diiodobenzene;bis(triazolo[1,5-a]quinoline)
CID 139202934
bis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139178587
2,3,4-trifluoroquinoline
CID 70448794
pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139202621
benzene-1,3,5-triol;phenazine;hydrate
CID 139145331

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine (CID 139175725) is 1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine is Fc1c(F)c(F)c(I)c(F)c1F.c1ccc2nc3ccccc3nc2c1.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine?
The InChIKey is GOWOGTWKOTWQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C6F5I/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;7-1-2(8)4(10)6(12)5(11)3(1)9/h1-8H;.
What are the key properties of 1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine?
1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine has a molecular weight of 474.17 g/mol, XLogP of 5.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine is sourced from PubChem (CID 139175725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).