4-(3-cyclopropylphenoxy)-2-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-6-propan-2-yloxy-1H-pyridazine

C24H25Cl2FN2O2 — CID 171784910

IUPAC4-(3-cyclopropylphenoxy)-2-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-6-propan-2-yloxy-1H-pyridazine
SMILESCC(C)OC1=CC(Oc2cccc(C3CC3)c2)=CN(CC(F)c2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C24H25Cl2FN2O2/c1-15(2)30-24-12-20(31-19-5-3-4-17(10-19)16-6-7-16)13-29(28-24)14-23(27)21-9-8-18(25)11-22(21)26/h3-5,8-13,15-16,23,28H,6-7,14H2,1-2H3
InChIKeyAMZFTBOGTPNTKR-UHFFFAOYSA-N
MW463.38 g/mol
LogP6.89
Rot. Bonds8

About 4-(3-cyclopropylphenoxy)-2-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-6-propan-2-yloxy-1H-pyridazine

4-(3-cyclopropylphenoxy)-2-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-6-propan-2-yloxy-1H-pyridazine (PubChem CID 171784910) has the molecular formula C24H25Cl2FN2O2 and a molecular weight of 463.38 g/mol. Its IUPAC name is 4-(3-cyclopropylphenoxy)-2-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-6-propan-2-yloxy-1H-pyridazine.

Molecular Properties

Compound Name4-(3-cyclopropylphenoxy)-2-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-6-propan-2-yloxy-1H-pyridazine
PubChem CID171784910
Molecular FormulaC24H25Cl2FN2O2
Molecular Weight463.38 g/mol
Exact Mass462.13
IUPAC Name4-(3-cyclopropylphenoxy)-2-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-6-propan-2-yloxy-1H-pyridazine
SMILESCC(C)OC1=CC(Oc2cccc(C3CC3)c2)=CN(CC(F)c2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C24H25Cl2FN2O2/c1-15(2)30-24-12-20(31-19-5-3-4-17(10-19)16-6-7-16)13-29(28-24)14-23(27)21-9-8-18(25)11-22(21)26/h3-5,8-13,15-16,23,28H,6-7,14H2,1-2H3
InChIKeyAMZFTBOGTPNTKR-UHFFFAOYSA-N
XLogP6.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylphenoxy)-2-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-6-propan-2-yloxy-1H-pyridazine?
The IUPAC name of 4-(3-cyclopropylphenoxy)-2-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-6-propan-2-yloxy-1H-pyridazine (CID 171784910) is 4-(3-cyclopropylphenoxy)-2-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-6-propan-2-yloxy-1H-pyridazine.
What is the SMILES notation for 4-(3-cyclopropylphenoxy)-2-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-6-propan-2-yloxy-1H-pyridazine?
The canonical SMILES for 4-(3-cyclopropylphenoxy)-2-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-6-propan-2-yloxy-1H-pyridazine is CC(C)OC1=CC(Oc2cccc(C3CC3)c2)=CN(CC(F)c2ccc(Cl)cc2Cl)N1.
What is the InChIKey of 4-(3-cyclopropylphenoxy)-2-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-6-propan-2-yloxy-1H-pyridazine?
The InChIKey is AMZFTBOGTPNTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2FN2O2/c1-15(2)30-24-12-20(31-19-5-3-4-17(10-19)16-6-7-16)13-29(28-24)14-23(27)21-9-8-18(25)11-22(21)26/h3-5,8-13,15-16,23,28H,6-7,14H2,1-2H3.
What are the key properties of 4-(3-cyclopropylphenoxy)-2-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-6-propan-2-yloxy-1H-pyridazine?
4-(3-cyclopropylphenoxy)-2-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-6-propan-2-yloxy-1H-pyridazine has a molecular weight of 463.38 g/mol, XLogP of 6.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylphenoxy)-2-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-6-propan-2-yloxy-1H-pyridazine is sourced from PubChem (CID 171784910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).