[(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

C14H13F4N3 — CID 102710396

IUPAC[(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESCc1cc(F)cc(C(NN)c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C14H13F4N3/c1-8-4-9(6-10(15)5-8)13(21-19)11-7-20-3-2-12(11)14(16,17)18/h2-7,13,21H,19H2,1H3
InChIKeyPVEYINJRCYWWAD-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.10
Rot. Bonds3

About [(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

[(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (PubChem CID 102710396) has the molecular formula C14H13F4N3 and a molecular weight of 299.27 g/mol. Its IUPAC name is [(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.

Molecular Properties

Compound Name[(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
PubChem CID102710396
Molecular FormulaC14H13F4N3
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name[(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESCc1cc(F)cc(C(NN)c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C14H13F4N3/c1-8-4-9(6-10(15)5-8)13(21-19)11-7-20-3-2-12(11)14(16,17)18/h2-7,13,21H,19H2,1H3
InChIKeyPVEYINJRCYWWAD-UHFFFAOYSA-N
XLogP3.10
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710504
[(3,4-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710524
[(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710530
[(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710395
N-methyl-1-(5-methyl-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709913
1-(5-fluoro-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709981
[(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710482
[(5-chloro-2-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710441
[(3-bromo-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320502
[(3-fluorophenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105193054
[(3-bromo-5-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105335328
[(3-fluoro-4-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105335389

Frequently Asked Questions

What is the IUPAC name of [(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The IUPAC name of [(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (CID 102710396) is [(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.
What is the SMILES notation for [(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The canonical SMILES for [(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is Cc1cc(F)cc(C(NN)c2cnccc2C(F)(F)F)c1.
What is the InChIKey of [(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The InChIKey is PVEYINJRCYWWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3/c1-8-4-9(6-10(15)5-8)13(21-19)11-7-20-3-2-12(11)14(16,17)18/h2-7,13,21H,19H2,1H3.
What are the key properties of [(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
[(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine has a molecular weight of 299.27 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is sourced from PubChem (CID 102710396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).