(2,3,4,5,6-pentafluorophenyl)-phenyldiazene

C12H5F5N2 — CID 3092877

IUPAC(2,3,4,5,6-pentafluorophenyl)-phenyldiazene
SMILESFc1c(F)c(F)c(/N=N/c2ccccc2)c(F)c1F
InChIInChI=1S/C12H5F5N2/c13-7-8(14)10(16)12(11(17)9(7)15)19-18-6-4-2-1-3-5-6/h1-5H/b19-18+
InChIKeyBMCAYVUKZRCOSD-VHEBQXMUSA-N
MW272.18 g/mol
LogP4.80
Rot. Bonds2

About (2,3,4,5,6-pentafluorophenyl)-phenyldiazene

(2,3,4,5,6-pentafluorophenyl)-phenyldiazene (PubChem CID 3092877) has the molecular formula C12H5F5N2 and a molecular weight of 272.18 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl)-phenyldiazene.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl)-phenyldiazene
PubChem CID3092877
Molecular FormulaC12H5F5N2
Molecular Weight272.18 g/mol
Exact Mass272.04
IUPAC Name(2,3,4,5,6-pentafluorophenyl)-phenyldiazene
SMILESFc1c(F)c(F)c(/N=N/c2ccccc2)c(F)c1F
InChIInChI=1S/C12H5F5N2/c13-7-8(14)10(16)12(11(17)9(7)15)19-18-6-4-2-1-3-5-6/h1-5H/b19-18+
InChIKeyBMCAYVUKZRCOSD-VHEBQXMUSA-N
XLogP4.80
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl)-phenyldiazene?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl)-phenyldiazene (CID 3092877) is (2,3,4,5,6-pentafluorophenyl)-phenyldiazene.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl)-phenyldiazene?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl)-phenyldiazene is Fc1c(F)c(F)c(/N=N/c2ccccc2)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl)-phenyldiazene?
The InChIKey is BMCAYVUKZRCOSD-VHEBQXMUSA-N. The full InChI is InChI=1S/C12H5F5N2/c13-7-8(14)10(16)12(11(17)9(7)15)19-18-6-4-2-1-3-5-6/h1-5H/b19-18+.
What are the key properties of (2,3,4,5,6-pentafluorophenyl)-phenyldiazene?
(2,3,4,5,6-pentafluorophenyl)-phenyldiazene has a molecular weight of 272.18 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl)-phenyldiazene is sourced from PubChem (CID 3092877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).