3,6-dichloro-4-(4-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine

C11H11Cl2FN2 — CID 22609930

IUPAC3,6-dichloro-4-(4-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine
SMILESCC1(c2cc(Cl)nnc2Cl)CC=C(F)CC1
InChIInChI=1S/C11H11Cl2FN2/c1-11(4-2-7(14)3-5-11)8-6-9(12)15-16-10(8)13/h2,6H,3-5H2,1H3
InChIKeyLLDFSKNZCRPJRN-UHFFFAOYSA-N
MW261.13 g/mol
LogP4.08
Rot. Bonds1

About 3,6-dichloro-4-(4-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine

3,6-dichloro-4-(4-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine (PubChem CID 22609930) has the molecular formula C11H11Cl2FN2 and a molecular weight of 261.13 g/mol. Its IUPAC name is 3,6-dichloro-4-(4-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(4-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine
PubChem CID22609930
Molecular FormulaC11H11Cl2FN2
Molecular Weight261.13 g/mol
Exact Mass260.03
IUPAC Name3,6-dichloro-4-(4-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine
SMILESCC1(c2cc(Cl)nnc2Cl)CC=C(F)CC1
InChIInChI=1S/C11H11Cl2FN2/c1-11(4-2-7(14)3-5-11)8-6-9(12)15-16-10(8)13/h2,6H,3-5H2,1H3
InChIKeyLLDFSKNZCRPJRN-UHFFFAOYSA-N
XLogP4.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 54.08
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-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine?
The IUPAC name of 3,6-dichloro-4-(4-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine (CID 22609930) is 3,6-dichloro-4-(4-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4-(4-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine?
The canonical SMILES for 3,6-dichloro-4-(4-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine is CC1(c2cc(Cl)nnc2Cl)CC=C(F)CC1.
What is the InChIKey of 3,6-dichloro-4-(4-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine?
The InChIKey is LLDFSKNZCRPJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2FN2/c1-11(4-2-7(14)3-5-11)8-6-9(12)15-16-10(8)13/h2,6H,3-5H2,1H3.
What are the key properties of 3,6-dichloro-4-(4-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine?
3,6-dichloro-4-(4-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine has a molecular weight of 261.13 g/mol, XLogP of 4.08, 1 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-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine is sourced from PubChem (CID 22609930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).