4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline

C14H13F2N3 — CID 9592

IUPAC4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C14H13F2N3/c1-19(2)14-5-3-12(4-6-14)17-18-13-8-10(15)7-11(16)9-13/h3-9H,1-2H3/b18-17+
InChIKeyCJBNNIWJXFBNMZ-ISLYRVAYSA-N
MW261.27 g/mol
LogP4.45
Rot. Bonds3

About 4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline

4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline (PubChem CID 9592) has the molecular formula C14H13F2N3 and a molecular weight of 261.27 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline
PubChem CID9592
Molecular FormulaC14H13F2N3
Molecular Weight261.27 g/mol
Exact Mass261.11
IUPAC Name4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C14H13F2N3/c1-19(2)14-5-3-12(4-6-14)17-18-13-8-10(15)7-11(16)9-13/h3-9H,1-2H3/b18-17+
InChIKeyCJBNNIWJXFBNMZ-ISLYRVAYSA-N
XLogP4.45
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline
CID 145427736
4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline
CID 23806
4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
CID 577894
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
CID 17226
2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one
CID 102448148
(NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine
CID 135538380
1-N'-(1-aminoethyl)-1-N'-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethane-1,1-diamine
CID 89354990
4-[[4-[2-[4-[[4-(dimethylamino)phenyl]diazenyl]-2,3,5,6-tetrafluorophenyl]sulfanylethylsulfanyl]-2,3,5,6-tetrafluorophenyl]diazenyl]-N,N-dimethylaniline
CID 101152987
2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone
CID 157137484
4-[(4-dimethoxysilylphenyl)diazenyl]-N,N-dimethylaniline
CID 159881311
4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfinate
CID 18548168
sodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 23674498

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline (CID 9592) is 4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline is CN(C)c1ccc(/N=N/c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline?
The InChIKey is CJBNNIWJXFBNMZ-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H13F2N3/c1-19(2)14-5-3-12(4-6-14)17-18-13-8-10(15)7-11(16)9-13/h3-9H,1-2H3/b18-17+.
What are the key properties of 4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline?
4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline has a molecular weight of 261.27 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline is sourced from PubChem (CID 9592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).