3-fluoro-6-propan-2-yl-1,2-dihydropyridazine

C7H11FN2 — CID 146392527

IUPAC3-fluoro-6-propan-2-yl-1,2-dihydropyridazine
SMILESCC(C)C1=CC=C(F)NN1
InChIInChI=1S/C7H11FN2/c1-5(2)6-3-4-7(8)10-9-6/h3-5,9-10H,1-2H3
InChIKeyUJCMLFUNQZDWRN-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.45
Rot. Bonds1

About 3-fluoro-6-propan-2-yl-1,2-dihydropyridazine

3-fluoro-6-propan-2-yl-1,2-dihydropyridazine (PubChem CID 146392527) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 3-fluoro-6-propan-2-yl-1,2-dihydropyridazine.

Molecular Properties

Compound Name3-fluoro-6-propan-2-yl-1,2-dihydropyridazine
PubChem CID146392527
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name3-fluoro-6-propan-2-yl-1,2-dihydropyridazine
SMILESCC(C)C1=CC=C(F)NN1
InChIInChI=1S/C7H11FN2/c1-5(2)6-3-4-7(8)10-9-6/h3-5,9-10H,1-2H3
InChIKeyUJCMLFUNQZDWRN-UHFFFAOYSA-N
XLogP1.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-propan-2-yl-1,2-dihydropyridazine?
The IUPAC name of 3-fluoro-6-propan-2-yl-1,2-dihydropyridazine (CID 146392527) is 3-fluoro-6-propan-2-yl-1,2-dihydropyridazine.
What is the SMILES notation for 3-fluoro-6-propan-2-yl-1,2-dihydropyridazine?
The canonical SMILES for 3-fluoro-6-propan-2-yl-1,2-dihydropyridazine is CC(C)C1=CC=C(F)NN1.
What is the InChIKey of 3-fluoro-6-propan-2-yl-1,2-dihydropyridazine?
The InChIKey is UJCMLFUNQZDWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-5(2)6-3-4-7(8)10-9-6/h3-5,9-10H,1-2H3.
What are the key properties of 3-fluoro-6-propan-2-yl-1,2-dihydropyridazine?
3-fluoro-6-propan-2-yl-1,2-dihydropyridazine has a molecular weight of 142.18 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-propan-2-yl-1,2-dihydropyridazine is sourced from PubChem (CID 146392527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).