6-methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one

C10H12F4N2O2 — CID 86818472

IUPAC6-methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCOCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H12F4N2O2/c1-7-2-3-8(17)16(15-7)4-5-18-6-10(13,14)9(11)12/h2-3,9H,4-6H2,1H3
InChIKeyPIDTXJXXCPSZGW-UHFFFAOYSA-N
MW268.21 g/mol
LogP1.47
Rot. Bonds6

About 6-methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one

6-methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one (PubChem CID 86818472) has the molecular formula C10H12F4N2O2 and a molecular weight of 268.21 g/mol. Its IUPAC name is 6-methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one
PubChem CID86818472
Molecular FormulaC10H12F4N2O2
Molecular Weight268.21 g/mol
Exact Mass268.08
IUPAC Name6-methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCOCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H12F4N2O2/c1-7-2-3-8(17)16(15-7)4-5-18-6-10(13,14)9(11)12/h2-3,9H,4-6H2,1H3
InChIKeyPIDTXJXXCPSZGW-UHFFFAOYSA-N
XLogP1.47
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one (CID 86818472) is 6-methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one is Cc1ccc(=O)n(CCOCC(F)(F)C(F)F)n1.
What is the InChIKey of 6-methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one?
The InChIKey is PIDTXJXXCPSZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N2O2/c1-7-2-3-8(17)16(15-7)4-5-18-6-10(13,14)9(11)12/h2-3,9H,4-6H2,1H3.
What are the key properties of 6-methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one?
6-methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one has a molecular weight of 268.21 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 86818472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).