bis[2-chloro-4-(trifluoromethyl)phenyl]diazene

C14H6Cl2F6N2 — CID 11372606

IUPACbis[2-chloro-4-(trifluoromethyl)phenyl]diazene
SMILESFC(F)(F)c1ccc(/N=N/c2ccc(C(F)(F)F)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H6Cl2F6N2/c15-9-5-7(13(17,18)19)1-3-11(9)23-24-12-4-2-8(6-10(12)16)14(20,21)22/h1-6H/b24-23+
InChIKeyGZUWYYBCYCOLGR-WCWDXBQESA-N
MW387.11 g/mol
LogP7.45
Rot. Bonds2

About bis[2-chloro-4-(trifluoromethyl)phenyl]diazene

bis[2-chloro-4-(trifluoromethyl)phenyl]diazene (PubChem CID 11372606) has the molecular formula C14H6Cl2F6N2 and a molecular weight of 387.11 g/mol. Its IUPAC name is bis[2-chloro-4-(trifluoromethyl)phenyl]diazene.

Molecular Properties

Compound Namebis[2-chloro-4-(trifluoromethyl)phenyl]diazene
PubChem CID11372606
Molecular FormulaC14H6Cl2F6N2
Molecular Weight387.11 g/mol
Exact Mass385.98
IUPAC Namebis[2-chloro-4-(trifluoromethyl)phenyl]diazene
SMILESFC(F)(F)c1ccc(/N=N/c2ccc(C(F)(F)F)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H6Cl2F6N2/c15-9-5-7(13(17,18)19)1-3-11(9)23-24-12-4-2-8(6-10(12)16)14(20,21)22/h1-6H/b24-23+
InChIKeyGZUWYYBCYCOLGR-WCWDXBQESA-N
XLogP7.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.11
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3,3'-Dichloro-4,4'-Diaminodiphenylmethane
CID 7543
3,3'-Dichlorobenzidine
CID 7070
3,3'-Dichlorobenzidine dihydrochloride
CID 11933
2-Chloro-4-trifluoromethylaniline
CID 162001
4-Amino-3,5-dichlorobenzotrifluoride
CID 141094
4-chloro-N-[(E)-[4-chloro-2-(trifluoromethyl)phenyl]azo]-2-(trifluoromethyl)aniline
CID 53329440
[1,1'-Biphenyl]-4,4'-bis(diazonium), 3,3'-dichloro-, chloride (1:2)
CID 170807
2-Chloro-1-isothiocyanato-4-(trifluoromethyl)benzene
CID 2736688
4,4'-Methylene-bis(2-chloroaniline).2HCl
CID 5284426
Benzenediazonium, 2-chloro-5-(trifluoromethyl)-, (T-4)-tetrachlorozincate(2-) (2:1)
CID 174430
2-Chloro-4-phenylaniline hydrochloride
CID 42935479
3,3'-Dichloro-4,4'-stilbenediamine
CID 6444382

Frequently Asked Questions

What is the IUPAC name of bis[2-chloro-4-(trifluoromethyl)phenyl]diazene?
The IUPAC name of bis[2-chloro-4-(trifluoromethyl)phenyl]diazene (CID 11372606) is bis[2-chloro-4-(trifluoromethyl)phenyl]diazene.
What is the SMILES notation for bis[2-chloro-4-(trifluoromethyl)phenyl]diazene?
The canonical SMILES for bis[2-chloro-4-(trifluoromethyl)phenyl]diazene is FC(F)(F)c1ccc(/N=N/c2ccc(C(F)(F)F)cc2Cl)c(Cl)c1.
What is the InChIKey of bis[2-chloro-4-(trifluoromethyl)phenyl]diazene?
The InChIKey is GZUWYYBCYCOLGR-WCWDXBQESA-N. The full InChI is InChI=1S/C14H6Cl2F6N2/c15-9-5-7(13(17,18)19)1-3-11(9)23-24-12-4-2-8(6-10(12)16)14(20,21)22/h1-6H/b24-23+.
What are the key properties of bis[2-chloro-4-(trifluoromethyl)phenyl]diazene?
bis[2-chloro-4-(trifluoromethyl)phenyl]diazene has a molecular weight of 387.11 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-chloro-4-(trifluoromethyl)phenyl]diazene is sourced from PubChem (CID 11372606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).