[6-butan-2-yl-2-(difluoromethyl)quinolin-4-yl]hydrazine

C14H17F2N3 — CID 55127720

IUPAC[6-butan-2-yl-2-(difluoromethyl)quinolin-4-yl]hydrazine
SMILESCCC(C)c1ccc2nc(C(F)F)cc(NN)c2c1
InChIInChI=1S/C14H17F2N3/c1-3-8(2)9-4-5-11-10(6-9)12(19-17)7-13(18-11)14(15)16/h4-8,14H,3,17H2,1-2H3,(H,18,19)
InChIKeySCAUCIPTZBTODG-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.97
Rot. Bonds4

About [6-butan-2-yl-2-(difluoromethyl)quinolin-4-yl]hydrazine

[6-butan-2-yl-2-(difluoromethyl)quinolin-4-yl]hydrazine (PubChem CID 55127720) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [6-butan-2-yl-2-(difluoromethyl)quinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-butan-2-yl-2-(difluoromethyl)quinolin-4-yl]hydrazine
PubChem CID55127720
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[6-butan-2-yl-2-(difluoromethyl)quinolin-4-yl]hydrazine
SMILESCCC(C)c1ccc2nc(C(F)F)cc(NN)c2c1
InChIInChI=1S/C14H17F2N3/c1-3-8(2)9-4-5-11-10(6-9)12(19-17)7-13(18-11)14(15)16/h4-8,14H,3,17H2,1-2H3,(H,18,19)
InChIKeySCAUCIPTZBTODG-UHFFFAOYSA-N
XLogP3.97
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.97
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 [6-butan-2-yl-2-(difluoromethyl)quinolin-4-yl]hydrazine?
The IUPAC name of [6-butan-2-yl-2-(difluoromethyl)quinolin-4-yl]hydrazine (CID 55127720) is [6-butan-2-yl-2-(difluoromethyl)quinolin-4-yl]hydrazine.
What is the SMILES notation for [6-butan-2-yl-2-(difluoromethyl)quinolin-4-yl]hydrazine?
The canonical SMILES for [6-butan-2-yl-2-(difluoromethyl)quinolin-4-yl]hydrazine is CCC(C)c1ccc2nc(C(F)F)cc(NN)c2c1.
What is the InChIKey of [6-butan-2-yl-2-(difluoromethyl)quinolin-4-yl]hydrazine?
The InChIKey is SCAUCIPTZBTODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-8(2)9-4-5-11-10(6-9)12(19-17)7-13(18-11)14(15)16/h4-8,14H,3,17H2,1-2H3,(H,18,19).
What are the key properties of [6-butan-2-yl-2-(difluoromethyl)quinolin-4-yl]hydrazine?
[6-butan-2-yl-2-(difluoromethyl)quinolin-4-yl]hydrazine has a molecular weight of 265.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-butan-2-yl-2-(difluoromethyl)quinolin-4-yl]hydrazine is sourced from PubChem (CID 55127720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).