[3-(1,1,1-trifluoropropan-2-yloxymethyl)quinolin-2-yl]hydrazine

C13H14F3N3O — CID 66274654

IUPAC[3-(1,1,1-trifluoropropan-2-yloxymethyl)quinolin-2-yl]hydrazine
SMILESCC(OCc1cc2ccccc2nc1NN)C(F)(F)F
InChIInChI=1S/C13H14F3N3O/c1-8(13(14,15)16)20-7-10-6-9-4-2-3-5-11(9)18-12(10)19-17/h2-6,8H,7,17H2,1H3,(H,18,19)
InChIKeyKNHWNQFQYMVMLG-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.99
Rot. Bonds4

About [3-(1,1,1-trifluoropropan-2-yloxymethyl)quinolin-2-yl]hydrazine

[3-(1,1,1-trifluoropropan-2-yloxymethyl)quinolin-2-yl]hydrazine (PubChem CID 66274654) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is [3-(1,1,1-trifluoropropan-2-yloxymethyl)quinolin-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(1,1,1-trifluoropropan-2-yloxymethyl)quinolin-2-yl]hydrazine
PubChem CID66274654
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name[3-(1,1,1-trifluoropropan-2-yloxymethyl)quinolin-2-yl]hydrazine
SMILESCC(OCc1cc2ccccc2nc1NN)C(F)(F)F
InChIInChI=1S/C13H14F3N3O/c1-8(13(14,15)16)20-7-10-6-9-4-2-3-5-11(9)18-12(10)19-17/h2-6,8H,7,17H2,1H3,(H,18,19)
InChIKeyKNHWNQFQYMVMLG-UHFFFAOYSA-N
XLogP2.99
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [3-(1,1,1-trifluoropropan-2-yloxymethyl)quinolin-2-yl]hydrazine?
The IUPAC name of [3-(1,1,1-trifluoropropan-2-yloxymethyl)quinolin-2-yl]hydrazine (CID 66274654) is [3-(1,1,1-trifluoropropan-2-yloxymethyl)quinolin-2-yl]hydrazine.
What is the SMILES notation for [3-(1,1,1-trifluoropropan-2-yloxymethyl)quinolin-2-yl]hydrazine?
The canonical SMILES for [3-(1,1,1-trifluoropropan-2-yloxymethyl)quinolin-2-yl]hydrazine is CC(OCc1cc2ccccc2nc1NN)C(F)(F)F.
What is the InChIKey of [3-(1,1,1-trifluoropropan-2-yloxymethyl)quinolin-2-yl]hydrazine?
The InChIKey is KNHWNQFQYMVMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-8(13(14,15)16)20-7-10-6-9-4-2-3-5-11(9)18-12(10)19-17/h2-6,8H,7,17H2,1H3,(H,18,19).
What are the key properties of [3-(1,1,1-trifluoropropan-2-yloxymethyl)quinolin-2-yl]hydrazine?
[3-(1,1,1-trifluoropropan-2-yloxymethyl)quinolin-2-yl]hydrazine has a molecular weight of 285.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1,1-trifluoropropan-2-yloxymethyl)quinolin-2-yl]hydrazine is sourced from PubChem (CID 66274654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).