(5,6,8-trifluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine

C13H14F3N3 — CID 62915682

IUPAC(5,6,8-trifluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine
SMILESCc1nc2c(F)cc(F)c(F)c2c(NN)c1C(C)C
InChIInChI=1S/C13H14F3N3/c1-5(2)9-6(3)18-12-8(15)4-7(14)11(16)10(12)13(9)19-17/h4-5H,17H2,1-3H3,(H,18,19)
InChIKeyVVWJPMXHSITIII-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.37
Rot. Bonds2

About (5,6,8-trifluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine

(5,6,8-trifluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine (PubChem CID 62915682) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is (5,6,8-trifluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(5,6,8-trifluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine
PubChem CID62915682
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name(5,6,8-trifluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine
SMILESCc1nc2c(F)cc(F)c(F)c2c(NN)c1C(C)C
InChIInChI=1S/C13H14F3N3/c1-5(2)9-6(3)18-12-8(15)4-7(14)11(16)10(12)13(9)19-17/h4-5H,17H2,1-3H3,(H,18,19)
InChIKeyVVWJPMXHSITIII-UHFFFAOYSA-N
XLogP3.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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 (5,6,8-trifluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine?
The IUPAC name of (5,6,8-trifluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine (CID 62915682) is (5,6,8-trifluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine.
What is the SMILES notation for (5,6,8-trifluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine?
The canonical SMILES for (5,6,8-trifluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine is Cc1nc2c(F)cc(F)c(F)c2c(NN)c1C(C)C.
What is the InChIKey of (5,6,8-trifluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine?
The InChIKey is VVWJPMXHSITIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-5(2)9-6(3)18-12-8(15)4-7(14)11(16)10(12)13(9)19-17/h4-5H,17H2,1-3H3,(H,18,19).
What are the key properties of (5,6,8-trifluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine?
(5,6,8-trifluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine has a molecular weight of 269.27 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6,8-trifluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine is sourced from PubChem (CID 62915682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).