[8-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

C13H14F3N3 — CID 62252087

IUPAC[8-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCCCc1cccc2c(NN)cc(C(F)(F)F)nc12
InChIInChI=1S/C13H14F3N3/c1-2-4-8-5-3-6-9-10(19-17)7-11(13(14,15)16)18-12(8)9/h3,5-7H,2,4,17H2,1H3,(H,18,19)
InChIKeyTYBMNXPEMWFNTI-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.49
Rot. Bonds3

About [8-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

[8-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (PubChem CID 62252087) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is [8-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[8-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
PubChem CID62252087
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name[8-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCCCc1cccc2c(NN)cc(C(F)(F)F)nc12
InChIInChI=1S/C13H14F3N3/c1-2-4-8-5-3-6-9-10(19-17)7-11(13(14,15)16)18-12(8)9/h3,5-7H,2,4,17H2,1H3,(H,18,19)
InChIKeyTYBMNXPEMWFNTI-UHFFFAOYSA-N
XLogP3.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.49
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 [8-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The IUPAC name of [8-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (CID 62252087) is [8-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.
What is the SMILES notation for [8-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The canonical SMILES for [8-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is CCCc1cccc2c(NN)cc(C(F)(F)F)nc12.
What is the InChIKey of [8-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The InChIKey is TYBMNXPEMWFNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-2-4-8-5-3-6-9-10(19-17)7-11(13(14,15)16)18-12(8)9/h3,5-7H,2,4,17H2,1H3,(H,18,19).
What are the key properties of [8-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
[8-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine has a molecular weight of 269.27 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is sourced from PubChem (CID 62252087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).