2-[(4,4-difluorocyclohexyl)methyl]pyridazin-3-one

C11H14F2N2O — CID 154760682

IUPAC2-[(4,4-difluorocyclohexyl)methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCC(F)(F)CC1
InChIInChI=1S/C11H14F2N2O/c12-11(13)5-3-9(4-6-11)8-15-10(16)2-1-7-14-15/h1-2,7,9H,3-6,8H2
InChIKeyPQNDLLDNZHALFH-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.07
Rot. Bonds2

About 2-[(4,4-difluorocyclohexyl)methyl]pyridazin-3-one

2-[(4,4-difluorocyclohexyl)methyl]pyridazin-3-one (PubChem CID 154760682) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-[(4,4-difluorocyclohexyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(4,4-difluorocyclohexyl)methyl]pyridazin-3-one
PubChem CID154760682
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name2-[(4,4-difluorocyclohexyl)methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCC(F)(F)CC1
InChIInChI=1S/C11H14F2N2O/c12-11(13)5-3-9(4-6-11)8-15-10(16)2-1-7-14-15/h1-2,7,9H,3-6,8H2
InChIKeyPQNDLLDNZHALFH-UHFFFAOYSA-N
XLogP2.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluorocyclohexyl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(4,4-difluorocyclohexyl)methyl]pyridazin-3-one (CID 154760682) is 2-[(4,4-difluorocyclohexyl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(4,4-difluorocyclohexyl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(4,4-difluorocyclohexyl)methyl]pyridazin-3-one is O=c1cccnn1CC1CCC(F)(F)CC1.
What is the InChIKey of 2-[(4,4-difluorocyclohexyl)methyl]pyridazin-3-one?
The InChIKey is PQNDLLDNZHALFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-11(13)5-3-9(4-6-11)8-15-10(16)2-1-7-14-15/h1-2,7,9H,3-6,8H2.
What are the key properties of 2-[(4,4-difluorocyclohexyl)methyl]pyridazin-3-one?
2-[(4,4-difluorocyclohexyl)methyl]pyridazin-3-one has a molecular weight of 228.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluorocyclohexyl)methyl]pyridazin-3-one is sourced from PubChem (CID 154760682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).