1-(4-methoxyphenyl)ethyl-(2,3,5,6-tetrafluoro-4-pyridinyl)diazene

C14H11F4N3O — CID 91897690

IUPAC1-(4-methoxyphenyl)ethyl-(2,3,5,6-tetrafluoro-4-pyridinyl)diazene
SMILESCOc1ccc(C(C)/N=N/c2c(F)c(F)nc(F)c2F)cc1
InChIInChI=1S/C14H11F4N3O/c1-7(8-3-5-9(22-2)6-4-8)20-21-12-10(15)13(17)19-14(18)11(12)16/h3-7H,1-2H3/b21-20+
InChIKeyBCFZLAYIPUNVPL-QZQOTICOSA-N
MW313.25 g/mol
LogP4.49
Rot. Bonds4

About 1-(4-methoxyphenyl)ethyl-(2,3,5,6-tetrafluoro-4-pyridinyl)diazene

1-(4-methoxyphenyl)ethyl-(2,3,5,6-tetrafluoro-4-pyridinyl)diazene (PubChem CID 91897690) has the molecular formula C14H11F4N3O and a molecular weight of 313.25 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)ethyl-(2,3,5,6-tetrafluoro-4-pyridinyl)diazene.

Molecular Properties

Compound Name1-(4-methoxyphenyl)ethyl-(2,3,5,6-tetrafluoro-4-pyridinyl)diazene
PubChem CID91897690
Molecular FormulaC14H11F4N3O
Molecular Weight313.25 g/mol
Exact Mass313.08
IUPAC Name1-(4-methoxyphenyl)ethyl-(2,3,5,6-tetrafluoro-4-pyridinyl)diazene
SMILESCOc1ccc(C(C)/N=N/c2c(F)c(F)nc(F)c2F)cc1
InChIInChI=1S/C14H11F4N3O/c1-7(8-3-5-9(22-2)6-4-8)20-21-12-10(15)13(17)19-14(18)11(12)16/h3-7H,1-2H3/b21-20+
InChIKeyBCFZLAYIPUNVPL-QZQOTICOSA-N
XLogP4.49
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-isothiocyanatoethyl]-4-methoxybenzene
CID 7018251
1-(1-azidoethyl)-4-methoxybenzene
CID 13330258
CID 175713586
CID 175713586
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
CID 13481815
(2R)-1,1-bis(4-methoxyphenyl)propan-2-ol
CID 91746525
(4-fluoro-3,5-dimethylphenyl)-(4-methoxyphenyl)methanol
CID 65296830
2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine
CID 102219519
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
(1S)-1-[4-(4-methoxyphenoxy)phenyl]ethanol
CID 63372514
(4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 43607953
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
CID 13482611

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)ethyl-(2,3,5,6-tetrafluoro-4-pyridinyl)diazene?
The IUPAC name of 1-(4-methoxyphenyl)ethyl-(2,3,5,6-tetrafluoro-4-pyridinyl)diazene (CID 91897690) is 1-(4-methoxyphenyl)ethyl-(2,3,5,6-tetrafluoro-4-pyridinyl)diazene.
What is the SMILES notation for 1-(4-methoxyphenyl)ethyl-(2,3,5,6-tetrafluoro-4-pyridinyl)diazene?
The canonical SMILES for 1-(4-methoxyphenyl)ethyl-(2,3,5,6-tetrafluoro-4-pyridinyl)diazene is COc1ccc(C(C)/N=N/c2c(F)c(F)nc(F)c2F)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)ethyl-(2,3,5,6-tetrafluoro-4-pyridinyl)diazene?
The InChIKey is BCFZLAYIPUNVPL-QZQOTICOSA-N. The full InChI is InChI=1S/C14H11F4N3O/c1-7(8-3-5-9(22-2)6-4-8)20-21-12-10(15)13(17)19-14(18)11(12)16/h3-7H,1-2H3/b21-20+.
What are the key properties of 1-(4-methoxyphenyl)ethyl-(2,3,5,6-tetrafluoro-4-pyridinyl)diazene?
1-(4-methoxyphenyl)ethyl-(2,3,5,6-tetrafluoro-4-pyridinyl)diazene has a molecular weight of 313.25 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)ethyl-(2,3,5,6-tetrafluoro-4-pyridinyl)diazene is sourced from PubChem (CID 91897690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).