[(2,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine

C16H17F3N2 — CID 105292454

IUPAC[(2,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCc1ccc(C)c(C(NN)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H17F3N2/c1-10-3-4-11(2)14(9-10)15(21-20)12-5-7-13(8-6-12)16(17,18)19/h3-9,15,21H,20H2,1-2H3
InChIKeyLQKVIVNJJDMWSV-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.87
Rot. Bonds3

About [(2,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine

[(2,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 105292454) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is [(2,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[(2,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID105292454
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name[(2,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCc1ccc(C)c(C(NN)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H17F3N2/c1-10-3-4-11(2)14(9-10)15(21-20)12-5-7-13(8-6-12)16(17,18)19/h3-9,15,21H,20H2,1-2H3
InChIKeyLQKVIVNJJDMWSV-UHFFFAOYSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193884
[(3,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105300140
[[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]hydrazine
CID 102759413
[(4-chloro-3-methylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105302305
[(3,5-dibromophenyl)-(2,5-dimethylphenyl)methyl]hydrazine
CID 114023425
[(2-fluoro-5-methylphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194262
[(6-chloro-3-pyridinyl)-(2,5-dimethylphenyl)methyl]hydrazine
CID 105253030
[(2,5-dimethylphenyl)-(4-propoxyphenyl)methyl]hydrazine
CID 105303653
[(2,5-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105292610
[(3,5-dimethoxyphenyl)-(2,5-dimethylphenyl)methyl]hydrazine
CID 105292640
[(2,5-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106756474
[(3-bromophenyl)-(2,5-dimethylphenyl)methyl]hydrazine
CID 105197981

Frequently Asked Questions

What is the IUPAC name of [(2,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [(2,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine (CID 105292454) is [(2,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [(2,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [(2,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine is Cc1ccc(C)c(C(NN)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of [(2,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is LQKVIVNJJDMWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-10-3-4-11(2)14(9-10)15(21-20)12-5-7-13(8-6-12)16(17,18)19/h3-9,15,21H,20H2,1-2H3.
What are the key properties of [(2,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine?
[(2,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 294.32 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 105292454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).