[4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene

C21H25F3N2 — CID 142659934

IUPAC[4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene
SMILESCC(C)(C)CC(C)(C)c1cccc(/N=N/c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C21H25F3N2/c1-19(2,3)14-20(4,5)16-7-6-8-18(13-16)26-25-17-11-9-15(10-12-17)21(22,23)24/h6-13H,14H2,1-5H3/b26-25+
InChIKeyXPKVBFIBJROFJC-OCEACIFDSA-N
MW362.44 g/mol
LogP7.83
Rot. Bonds4

About [4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene

[4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene (PubChem CID 142659934) has the molecular formula C21H25F3N2 and a molecular weight of 362.44 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene
PubChem CID142659934
Molecular FormulaC21H25F3N2
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name[4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene
SMILESCC(C)(C)CC(C)(C)c1cccc(/N=N/c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C21H25F3N2/c1-19(2,3)14-20(4,5)16-7-6-8-18(13-16)26-25-17-11-9-15(10-12-17)21(22,23)24/h6-13H,14H2,1-5H3/b26-25+
InChIKeyXPKVBFIBJROFJC-OCEACIFDSA-N
XLogP7.83
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 57.83
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-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene
CID 86246481
(3-tert-butylphenyl)-phenyldiazene
CID 141467290
N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline
CID 134216743
(4-iodophenyl)-[4-(trifluoromethyl)phenyl]diazene
CID 125475798
5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine
CID 121224764
2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenol
CID 137150175
3-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]aniline
CID 125464946
1,3-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]benzene
CID 140720974
1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene
CID 57305563
2-(2,4,4-trimethylpentan-2-yl)naphthalene
CID 18987503
CID 158792811
CID 158792811
phenyl-[2-(2,4,4-trimethylpentan-2-yl)phenyl]diazene
CID 88827442

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene?
The IUPAC name of [4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene (CID 142659934) is [4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene?
The canonical SMILES for [4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene is CC(C)(C)CC(C)(C)c1cccc(/N=N/c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene?
The InChIKey is XPKVBFIBJROFJC-OCEACIFDSA-N. The full InChI is InChI=1S/C21H25F3N2/c1-19(2,3)14-20(4,5)16-7-6-8-18(13-16)26-25-17-11-9-15(10-12-17)21(22,23)24/h6-13H,14H2,1-5H3/b26-25+.
What are the key properties of [4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene?
[4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene has a molecular weight of 362.44 g/mol, XLogP of 7.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]-[3-(2,4,4-trimethylpentan-2-yl)phenyl]diazene is sourced from PubChem (CID 142659934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).