3-chloro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridazine

C11H13ClF3N3 — CID 176574584

IUPAC3-chloro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridazine
SMILESFC(F)(F)CC1CCN(c2cnnc(Cl)c2)CC1
InChIInChI=1S/C11H13ClF3N3/c12-10-5-9(7-16-17-10)18-3-1-8(2-4-18)6-11(13,14)15/h5,7-8H,1-4,6H2
InChIKeyUQMVSZVTCXSEJA-UHFFFAOYSA-N
MW279.69 g/mol
LogP3.30
Rot. Bonds2

About 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridazine

3-chloro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridazine (PubChem CID 176574584) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridazine
PubChem CID176574584
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC Name3-chloro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridazine
SMILESFC(F)(F)CC1CCN(c2cnnc(Cl)c2)CC1
InChIInChI=1S/C11H13ClF3N3/c12-10-5-9(7-16-17-10)18-3-1-8(2-4-18)6-11(13,14)15/h5,7-8H,1-4,6H2
InChIKeyUQMVSZVTCXSEJA-UHFFFAOYSA-N
XLogP3.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridazine?
The IUPAC name of 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridazine (CID 176574584) is 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridazine is FC(F)(F)CC1CCN(c2cnnc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridazine?
The InChIKey is UQMVSZVTCXSEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3/c12-10-5-9(7-16-17-10)18-3-1-8(2-4-18)6-11(13,14)15/h5,7-8H,1-4,6H2.
What are the key properties of 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridazine?
3-chloro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridazine has a molecular weight of 279.69 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridazine is sourced from PubChem (CID 176574584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).