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

C16H23FN2O — CID 22751166

IUPAC1-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol
SMILESCCCCC(O)CN1N=CCCC1c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O/c1-2-3-5-15(20)12-19-16(6-4-11-18-19)13-7-9-14(17)10-8-13/h7-11,15-16,20H,2-6,12H2,1H3
InChIKeyUTNVUDWWZMIOPA-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.50
Rot. Bonds6

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

1-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol (PubChem CID 22751166) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol
PubChem CID22751166
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol
SMILESCCCCC(O)CN1N=CCCC1c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O/c1-2-3-5-15(20)12-19-16(6-4-11-18-19)13-7-9-14(17)10-8-13/h7-11,15-16,20H,2-6,12H2,1H3
InChIKeyUTNVUDWWZMIOPA-UHFFFAOYSA-N
XLogP3.50
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol?
The IUPAC name of 1-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol (CID 22751166) is 1-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol?
The canonical SMILES for 1-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol is CCCCC(O)CN1N=CCCC1c1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol?
The InChIKey is UTNVUDWWZMIOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-2-3-5-15(20)12-19-16(6-4-11-18-19)13-7-9-14(17)10-8-13/h7-11,15-16,20H,2-6,12H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol?
1-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol has a molecular weight of 278.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol is sourced from PubChem (CID 22751166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).