4-(5,6-difluorobenzotriazol-2-yl)-N,N-dimethylaniline

C14H12F2N4 — CID 70878262

IUPAC4-(5,6-difluorobenzotriazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-n2nc3cc(F)c(F)cc3n2)cc1
InChIInChI=1S/C14H12F2N4/c1-19(2)9-3-5-10(6-4-9)20-17-13-7-11(15)12(16)8-14(13)18-20/h3-8H,1-2H3
InChIKeyUFDBMQIHFYWRFF-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.76
Rot. Bonds2

About 4-(5,6-difluorobenzotriazol-2-yl)-N,N-dimethylaniline

4-(5,6-difluorobenzotriazol-2-yl)-N,N-dimethylaniline (PubChem CID 70878262) has the molecular formula C14H12F2N4 and a molecular weight of 274.27 g/mol. Its IUPAC name is 4-(5,6-difluorobenzotriazol-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(5,6-difluorobenzotriazol-2-yl)-N,N-dimethylaniline
PubChem CID70878262
Molecular FormulaC14H12F2N4
Molecular Weight274.27 g/mol
Exact Mass274.10
IUPAC Name4-(5,6-difluorobenzotriazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-n2nc3cc(F)c(F)cc3n2)cc1
InChIInChI=1S/C14H12F2N4/c1-19(2)9-3-5-10(6-4-9)20-17-13-7-11(15)12(16)8-14(13)18-20/h3-8H,1-2H3
InChIKeyUFDBMQIHFYWRFF-UHFFFAOYSA-N
XLogP2.76
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Fluorophenyl)-2H-benzotriazol-5-amine
CID 721127
2-{4-[(Methylethyl)amino]phenyl}-2-hydrobenzotriazol-1-ol
CID 727193
2-[4-(diethylamino)phenyl]-2H-1,2,3-benzotriazol-5-amine
CID 14349221
4-(2H-1,2,3-benzotriazol-2-yl)aniline
CID 830517
2H-Benzotriazole, 2-phenyl-
CID 154096
1H-Benzotriazolium, 1,2-dimethyl-, iodide
CID 60320
N-((1H-Benzotriazol-1-yl)methyl)-N-methylaniline
CID 3526709
2H-Benzotriazole, 2-(2-azidophenyl)-
CID 84865
4-(1H-1,2,3-benzotriazol-1-yl)aniline
CID 12903853
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole
CID 10822527
1-[4-[4-(3-Fluorophenyl)piperazin-1-yl]butyl]benzotriazole;hydrochloride
CID 177654384
2-(4-Fluorophenyl)benzotriazole
CID 11571239

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-difluorobenzotriazol-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(5,6-difluorobenzotriazol-2-yl)-N,N-dimethylaniline (CID 70878262) is 4-(5,6-difluorobenzotriazol-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(5,6-difluorobenzotriazol-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(5,6-difluorobenzotriazol-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(-n2nc3cc(F)c(F)cc3n2)cc1.
What is the InChIKey of 4-(5,6-difluorobenzotriazol-2-yl)-N,N-dimethylaniline?
The InChIKey is UFDBMQIHFYWRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4/c1-19(2)9-3-5-10(6-4-9)20-17-13-7-11(15)12(16)8-14(13)18-20/h3-8H,1-2H3.
What are the key properties of 4-(5,6-difluorobenzotriazol-2-yl)-N,N-dimethylaniline?
4-(5,6-difluorobenzotriazol-2-yl)-N,N-dimethylaniline has a molecular weight of 274.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-difluorobenzotriazol-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 70878262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).