[5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

C11H9F4N3 — CID 62250423

IUPAC[5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCc1ccc(F)c2c(NN)cc(C(F)(F)F)nc12
InChIInChI=1S/C11H9F4N3/c1-5-2-3-6(12)9-7(18-16)4-8(11(13,14)15)17-10(5)9/h2-4H,16H2,1H3,(H,17,18)
InChIKeyMIAJRGTYVYEDOX-UHFFFAOYSA-N
MW259.21 g/mol
LogP2.99
Rot. Bonds1

About [5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

[5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (PubChem CID 62250423) has the molecular formula C11H9F4N3 and a molecular weight of 259.21 g/mol. Its IUPAC name is [5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
PubChem CID62250423
Molecular FormulaC11H9F4N3
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC Name[5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCc1ccc(F)c2c(NN)cc(C(F)(F)F)nc12
InChIInChI=1S/C11H9F4N3/c1-5-2-3-6(12)9-7(18-16)4-8(11(13,14)15)17-10(5)9/h2-4H,16H2,1H3,(H,17,18)
InChIKeyMIAJRGTYVYEDOX-UHFFFAOYSA-N
XLogP2.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 52.99
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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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The IUPAC name of [5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (CID 62250423) is [5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.
What is the SMILES notation for [5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The canonical SMILES for [5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is Cc1ccc(F)c2c(NN)cc(C(F)(F)F)nc12.
What is the InChIKey of [5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The InChIKey is MIAJRGTYVYEDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3/c1-5-2-3-6(12)9-7(18-16)4-8(11(13,14)15)17-10(5)9/h2-4H,16H2,1H3,(H,17,18).
What are the key properties of [5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
[5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine has a molecular weight of 259.21 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is sourced from PubChem (CID 62250423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).