4-chloro-N-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-3-(trifluoromethyl)aniline

C14H7Cl2F6N3 — CID 10549082

IUPAC4-chloro-N-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(/N=N/Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C14H7Cl2F6N3/c15-11-3-1-7(5-9(11)13(17,18)19)23-25-24-8-2-4-12(16)10(6-8)14(20,21)22/h1-6H,(H,23,24)
InChIKeyUMCBDFKFYOZVOW-UHFFFAOYSA-N
MW402.13 g/mol
LogP7.14
Rot. Bonds3

About 4-chloro-N-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-3-(trifluoromethyl)aniline

4-chloro-N-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-3-(trifluoromethyl)aniline (PubChem CID 10549082) has the molecular formula C14H7Cl2F6N3 and a molecular weight of 402.13 g/mol. Its IUPAC name is 4-chloro-N-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-3-(trifluoromethyl)aniline
PubChem CID10549082
Molecular FormulaC14H7Cl2F6N3
Molecular Weight402.13 g/mol
Exact Mass400.99
IUPAC Name4-chloro-N-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(/N=N/Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C14H7Cl2F6N3/c15-11-3-1-7(5-9(11)13(17,18)19)23-25-24-8-2-4-12(16)10(6-8)14(20,21)22/h1-6H,(H,23,24)
InChIKeyUMCBDFKFYOZVOW-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

4-[2-[4-cyano-3-(trifluoromethyl)phenyl]iminohydrazinyl]-2-(trifluoromethyl)benzonitrile
CID 90671236
N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride
CID 23155082
1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine
CID 147351082
(2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid
CID 134113266
4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 21043795
1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]thiourea
CID 4763346
4-azido-1-chloro-2-(trifluoromethyl)benzene
CID 43154616
1-[4-[(3-acetylphenyl)diazenyl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 151516113
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
6-chloro-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 23477599
3-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 72714706
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine
CID 82059636

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-3-(trifluoromethyl)aniline (CID 10549082) is 4-chloro-N-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-3-(trifluoromethyl)aniline is FC(F)(F)c1cc(/N=N/Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-3-(trifluoromethyl)aniline?
The InChIKey is UMCBDFKFYOZVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F6N3/c15-11-3-1-7(5-9(11)13(17,18)19)23-25-24-8-2-4-12(16)10(6-8)14(20,21)22/h1-6H,(H,23,24).
What are the key properties of 4-chloro-N-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-3-(trifluoromethyl)aniline?
4-chloro-N-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-3-(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-3-(trifluoromethyl)phenyl]diazenyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 10549082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).