4-chloro-N-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline

C14H7Cl2F6N3 — CID 53329440

IUPAC4-chloro-N-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Cl)ccc1/N=N/Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H7Cl2F6N3/c15-7-1-3-11(9(5-7)13(17,18)19)23-25-24-12-4-2-8(16)6-10(12)14(20,21)22/h1-6H,(H,23,24)
InChIKeyPHXINARWTCRZKM-UHFFFAOYSA-N
MW402.13 g/mol
LogP7.14
Rot. Bonds3

About 4-chloro-N-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline

4-chloro-N-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline (PubChem CID 53329440) has the molecular formula C14H7Cl2F6N3 and a molecular weight of 402.13 g/mol. Its IUPAC name is 4-chloro-N-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline
PubChem CID53329440
Molecular FormulaC14H7Cl2F6N3
Molecular Weight402.13 g/mol
Exact Mass400.99
IUPAC Name4-chloro-N-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Cl)ccc1/N=N/Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H7Cl2F6N3/c15-7-1-3-11(9(5-7)13(17,18)19)23-25-24-12-4-2-8(16)6-10(12)14(20,21)22/h1-6H,(H,23,24)
InChIKeyPHXINARWTCRZKM-UHFFFAOYSA-N
XLogP7.14
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.13
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzenamine, 4-chloro-2-(trifluoromethyl)-
CID 67961
4-chloro-N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]azo]-3-(trifluoromethyl)aniline
CID 10549082
4-Chloro-2-tolylhydrazine hydrochloride
CID 3084321
1-Triazene, 1,3-bis[2-(trifluoromethyl)phenyl]-
CID 589462
(4-Chloro-2-methylphenyl)hydrazine
CID 587842
N',2-Bis(4-chloro-2-methylphenyl)diazenecarbohydrazide
CID 383225
(Z)-N-(4-chloro-2-methylphenyl)benzenecarbohydrazonoyl chloride
CID 12730134
2-chloro-N-[(E)-[2-chloro-5-(trifluoromethyl)phenyl]azo]-5-(trifluoromethyl)aniline
CID 44381921
4-fluoro-N-[(E)-[4-fluoro-2-(trifluoromethyl)phenyl]azo]-2-(trifluoromethyl)aniline
CID 90671231
5,5'-Dichloro-[1,1'-biphenyl]-2,2'-diamine
CID 21332682
4-Chloro-2-(1-phenylethenyl)aniline
CID 11107143
5-Chloro-4'-fluorobiphenyl-2-amine
CID 58482988

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline (CID 53329440) is 4-chloro-N-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline is FC(F)(F)c1cc(Cl)ccc1/N=N/Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-N-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline?
The InChIKey is PHXINARWTCRZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F6N3/c15-7-1-3-11(9(5-7)13(17,18)19)23-25-24-12-4-2-8(16)6-10(12)14(20,21)22/h1-6H,(H,23,24).
What are the key properties of 4-chloro-N-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline?
4-chloro-N-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline has a molecular weight of 402.13 g/mol, XLogP of 7.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 53329440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).