1-propan-2-yl-1-[5-(trifluoromethyl)-1,2-dihydropyridin-2-yl]hydrazine

C9H14F3N3 — CID 131970393

IUPAC1-propan-2-yl-1-[5-(trifluoromethyl)-1,2-dihydropyridin-2-yl]hydrazine
SMILESCC(C)N(N)C1C=CC(C(F)(F)F)=CN1
InChIInChI=1S/C9H14F3N3/c1-6(2)15(13)8-4-3-7(5-14-8)9(10,11)12/h3-6,8,14H,13H2,1-2H3
InChIKeyQVMYRKZYQWBGMD-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.50
Rot. Bonds2

About 1-propan-2-yl-1-[5-(trifluoromethyl)-1,2-dihydropyridin-2-yl]hydrazine

1-propan-2-yl-1-[5-(trifluoromethyl)-1,2-dihydropyridin-2-yl]hydrazine (PubChem CID 131970393) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-propan-2-yl-1-[5-(trifluoromethyl)-1,2-dihydropyridin-2-yl]hydrazine.

Molecular Properties

Compound Name1-propan-2-yl-1-[5-(trifluoromethyl)-1,2-dihydropyridin-2-yl]hydrazine
PubChem CID131970393
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name1-propan-2-yl-1-[5-(trifluoromethyl)-1,2-dihydropyridin-2-yl]hydrazine
SMILESCC(C)N(N)C1C=CC(C(F)(F)F)=CN1
InChIInChI=1S/C9H14F3N3/c1-6(2)15(13)8-4-3-7(5-14-8)9(10,11)12/h3-6,8,14H,13H2,1-2H3
InChIKeyQVMYRKZYQWBGMD-UHFFFAOYSA-N
XLogP1.50
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.50
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 1-propan-2-yl-1-[5-(trifluoromethyl)-1,2-dihydropyridin-2-yl]hydrazine?
The IUPAC name of 1-propan-2-yl-1-[5-(trifluoromethyl)-1,2-dihydropyridin-2-yl]hydrazine (CID 131970393) is 1-propan-2-yl-1-[5-(trifluoromethyl)-1,2-dihydropyridin-2-yl]hydrazine.
What is the SMILES notation for 1-propan-2-yl-1-[5-(trifluoromethyl)-1,2-dihydropyridin-2-yl]hydrazine?
The canonical SMILES for 1-propan-2-yl-1-[5-(trifluoromethyl)-1,2-dihydropyridin-2-yl]hydrazine is CC(C)N(N)C1C=CC(C(F)(F)F)=CN1.
What is the InChIKey of 1-propan-2-yl-1-[5-(trifluoromethyl)-1,2-dihydropyridin-2-yl]hydrazine?
The InChIKey is QVMYRKZYQWBGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-6(2)15(13)8-4-3-7(5-14-8)9(10,11)12/h3-6,8,14H,13H2,1-2H3.
What are the key properties of 1-propan-2-yl-1-[5-(trifluoromethyl)-1,2-dihydropyridin-2-yl]hydrazine?
1-propan-2-yl-1-[5-(trifluoromethyl)-1,2-dihydropyridin-2-yl]hydrazine has a molecular weight of 221.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-1-[5-(trifluoromethyl)-1,2-dihydropyridin-2-yl]hydrazine is sourced from PubChem (CID 131970393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).