(4-butoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)diazene

C16H13F5N2O — CID 134880151

IUPAC(4-butoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)diazene
SMILESCCCCOc1ccc(/N=N/c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C16H13F5N2O/c1-2-3-8-24-10-6-4-9(5-7-10)22-23-16-14(20)12(18)11(17)13(19)15(16)21/h4-7H,2-3,8H2,1H3/b23-22+
InChIKeyXXGUCZSVRIXJQL-GHVJWSGMSA-N
MW344.28 g/mol
LogP5.98
Rot. Bonds6

About (4-butoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)diazene

(4-butoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)diazene (PubChem CID 134880151) has the molecular formula C16H13F5N2O and a molecular weight of 344.28 g/mol. Its IUPAC name is (4-butoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)diazene.

Molecular Properties

Compound Name(4-butoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)diazene
PubChem CID134880151
Molecular FormulaC16H13F5N2O
Molecular Weight344.28 g/mol
Exact Mass344.09
IUPAC Name(4-butoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)diazene
SMILESCCCCOc1ccc(/N=N/c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C16H13F5N2O/c1-2-3-8-24-10-6-4-9(5-7-10)22-23-16-14(20)12(18)11(17)13(19)15(16)21/h4-7H,2-3,8H2,1H3/b23-22+
InChIKeyXXGUCZSVRIXJQL-GHVJWSGMSA-N
XLogP5.98
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.28
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
bis(4-heptoxyphenyl)diazene
CID 13087198
4-[(4-butoxyphenyl)diazenyl]aniline
CID 3684446
[4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene
CID 101188432
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
CID 102454987
(4-butoxyphenyl)-(4-ethynylphenyl)diazene
CID 101121251
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
CID 102454986
CID 136836012
CID 136836012
1,3-bis[4-[(4-decoxyphenyl)diazenyl]phenoxy]propan-2-ol
CID 101214976

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)diazene?
The IUPAC name of (4-butoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)diazene (CID 134880151) is (4-butoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)diazene.
What is the SMILES notation for (4-butoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)diazene?
The canonical SMILES for (4-butoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)diazene is CCCCOc1ccc(/N=N/c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of (4-butoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)diazene?
The InChIKey is XXGUCZSVRIXJQL-GHVJWSGMSA-N. The full InChI is InChI=1S/C16H13F5N2O/c1-2-3-8-24-10-6-4-9(5-7-10)22-23-16-14(20)12(18)11(17)13(19)15(16)21/h4-7H,2-3,8H2,1H3/b23-22+.
What are the key properties of (4-butoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)diazene?
(4-butoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)diazene has a molecular weight of 344.28 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)diazene is sourced from PubChem (CID 134880151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).