1-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol

C14H19FN2O — CID 22751175

IUPAC1-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
SMILESCCC(O)CN1CCCC(c2ccc(F)cc2)=N1
InChIInChI=1S/C14H19FN2O/c1-2-13(18)10-17-9-3-4-14(16-17)11-5-7-12(15)8-6-11/h5-8,13,18H,2-4,9-10H2,1H3
InChIKeyCHRRLSFZIUFKII-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.40
Rot. Bonds4

About 1-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol

1-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol (PubChem CID 22751175) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
PubChem CID22751175
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
SMILESCCC(O)CN1CCCC(c2ccc(F)cc2)=N1
InChIInChI=1S/C14H19FN2O/c1-2-13(18)10-17-9-3-4-14(16-17)11-5-7-12(15)8-6-11/h5-8,13,18H,2-4,9-10H2,1H3
InChIKeyCHRRLSFZIUFKII-UHFFFAOYSA-N
XLogP2.40
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
The IUPAC name of 1-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol (CID 22751175) is 1-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol.
What is the SMILES notation for 1-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
The canonical SMILES for 1-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol is CCC(O)CN1CCCC(c2ccc(F)cc2)=N1.
What is the InChIKey of 1-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
The InChIKey is CHRRLSFZIUFKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-13(18)10-17-9-3-4-14(16-17)11-5-7-12(15)8-6-11/h5-8,13,18H,2-4,9-10H2,1H3.
What are the key properties of 1-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
1-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol has a molecular weight of 250.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol is sourced from PubChem (CID 22751175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).