3,6-dichloro-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]pyridazine

C17H17Cl2FN2 — CID 177327550

IUPAC3,6-dichloro-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]pyridazine
SMILESCc1cccc(F)c1C1CCC(c2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C17H17Cl2FN2/c1-10-3-2-4-14(20)16(10)12-7-5-11(6-8-12)13-9-15(18)21-22-17(13)19/h2-4,9,11-12H,5-8H2,1H3
InChIKeyJHLDVDGJOKFBPM-UHFFFAOYSA-N
MW339.24 g/mol
LogP5.67
Rot. Bonds2

About 3,6-dichloro-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]pyridazine

3,6-dichloro-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]pyridazine (PubChem CID 177327550) has the molecular formula C17H17Cl2FN2 and a molecular weight of 339.24 g/mol. Its IUPAC name is 3,6-dichloro-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]pyridazine
PubChem CID177327550
Molecular FormulaC17H17Cl2FN2
Molecular Weight339.24 g/mol
Exact Mass338.08
IUPAC Name3,6-dichloro-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]pyridazine
SMILESCc1cccc(F)c1C1CCC(c2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C17H17Cl2FN2/c1-10-3-2-4-14(20)16(10)12-7-5-11(6-8-12)13-9-15(18)21-22-17(13)19/h2-4,9,11-12H,5-8H2,1H3
InChIKeyJHLDVDGJOKFBPM-UHFFFAOYSA-N
XLogP5.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.24
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]pyridazine?
The IUPAC name of 3,6-dichloro-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]pyridazine (CID 177327550) is 3,6-dichloro-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]pyridazine.
What is the SMILES notation for 3,6-dichloro-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]pyridazine?
The canonical SMILES for 3,6-dichloro-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]pyridazine is Cc1cccc(F)c1C1CCC(c2cc(Cl)nnc2Cl)CC1.
What is the InChIKey of 3,6-dichloro-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]pyridazine?
The InChIKey is JHLDVDGJOKFBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2/c1-10-3-2-4-14(20)16(10)12-7-5-11(6-8-12)13-9-15(18)21-22-17(13)19/h2-4,9,11-12H,5-8H2,1H3.
What are the key properties of 3,6-dichloro-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]pyridazine?
3,6-dichloro-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]pyridazine has a molecular weight of 339.24 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]pyridazine is sourced from PubChem (CID 177327550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).