(4-fluorophenyl)-(4-octylphenyl)diazene

C20H25FN2 — CID 172555601

IUPAC(4-fluorophenyl)-(4-octylphenyl)diazene
SMILESCCCCCCCCc1ccc(/N=N/c2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2/c1-2-3-4-5-6-7-8-17-9-13-19(14-10-17)22-23-20-15-11-18(21)12-16-20/h9-16H,2-8H2,1H3/b23-22+
InChIKeySMDLBXHABJPSGQ-GHVJWSGMSA-N
MW312.43 g/mol
LogP7.14
Rot. Bonds9

About (4-fluorophenyl)-(4-octylphenyl)diazene

(4-fluorophenyl)-(4-octylphenyl)diazene (PubChem CID 172555601) has the molecular formula C20H25FN2 and a molecular weight of 312.43 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-octylphenyl)diazene.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-octylphenyl)diazene
PubChem CID172555601
Molecular FormulaC20H25FN2
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC Name(4-fluorophenyl)-(4-octylphenyl)diazene
SMILESCCCCCCCCc1ccc(/N=N/c2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2/c1-2-3-4-5-6-7-8-17-9-13-19(14-10-17)22-23-20-15-11-18(21)12-16-20/h9-16H,2-8H2,1H3/b23-22+
InChIKeySMDLBXHABJPSGQ-GHVJWSGMSA-N
XLogP7.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.43
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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5,11,17,23-tetrakis[(4-octylphenyl)diazenyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-octylphenyl)diazene?
The IUPAC name of (4-fluorophenyl)-(4-octylphenyl)diazene (CID 172555601) is (4-fluorophenyl)-(4-octylphenyl)diazene.
What is the SMILES notation for (4-fluorophenyl)-(4-octylphenyl)diazene?
The canonical SMILES for (4-fluorophenyl)-(4-octylphenyl)diazene is CCCCCCCCc1ccc(/N=N/c2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)-(4-octylphenyl)diazene?
The InChIKey is SMDLBXHABJPSGQ-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H25FN2/c1-2-3-4-5-6-7-8-17-9-13-19(14-10-17)22-23-20-15-11-18(21)12-16-20/h9-16H,2-8H2,1H3/b23-22+.
What are the key properties of (4-fluorophenyl)-(4-octylphenyl)diazene?
(4-fluorophenyl)-(4-octylphenyl)diazene has a molecular weight of 312.43 g/mol, XLogP of 7.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-octylphenyl)diazene is sourced from PubChem (CID 172555601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).