(2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)diazene

C13H9F3N2O — CID 122401839

IUPAC(2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)diazene
SMILESCOc1ccc(/N=N/c2c(F)cccc2F)c(F)c1
InChIInChI=1S/C13H9F3N2O/c1-19-8-5-6-12(11(16)7-8)17-18-13-9(14)3-2-4-10(13)15/h2-7H,1H3/b18-17+
InChIKeyAOUOWDLPIHBRAH-ISLYRVAYSA-N
MW266.22 g/mol
LogP4.53
Rot. Bonds3

About (2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)diazene

(2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)diazene (PubChem CID 122401839) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)diazene.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)diazene
PubChem CID122401839
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name(2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)diazene
SMILESCOc1ccc(/N=N/c2c(F)cccc2F)c(F)c1
InChIInChI=1S/C13H9F3N2O/c1-19-8-5-6-12(11(16)7-8)17-18-13-9(14)3-2-4-10(13)15/h2-7H,1H3/b18-17+
InChIKeyAOUOWDLPIHBRAH-ISLYRVAYSA-N
XLogP4.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol
CID 153368055
3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol
CID 176556613
2-fluoro-4-methoxy-1-(1-phenylethenyl)benzene
CID 156698107
2-fluoro-4-methoxyaniline
CID 3756383
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
CID 139245906
CID 139245906
(2,6-dibromo-4-octoxyphenyl)-(2,6-difluorophenyl)diazene
CID 170787906
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408
(2-fluoro-4-methoxyphenyl)methyl-methylazanide
CID 89077895
1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene
CID 126581039
N,N,2-trifluoro-4-methoxyaniline
CID 87910530
azane;1,3-dimethoxybenzene
CID 70210283

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)diazene?
The IUPAC name of (2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)diazene (CID 122401839) is (2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)diazene.
What is the SMILES notation for (2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)diazene?
The canonical SMILES for (2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)diazene is COc1ccc(/N=N/c2c(F)cccc2F)c(F)c1.
What is the InChIKey of (2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)diazene?
The InChIKey is AOUOWDLPIHBRAH-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c1-19-8-5-6-12(11(16)7-8)17-18-13-9(14)3-2-4-10(13)15/h2-7H,1H3/b18-17+.
What are the key properties of (2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)diazene?
(2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)diazene has a molecular weight of 266.22 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)diazene is sourced from PubChem (CID 122401839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).