2-(4,4-difluorocyclohexyl)pyridazin-3-one

C10H12F2N2O — CID 175957551

IUPAC2-(4,4-difluorocyclohexyl)pyridazin-3-one
SMILESO=c1cccnn1C1CCC(F)(F)CC1
InChIInChI=1S/C10H12F2N2O/c11-10(12)5-3-8(4-6-10)14-9(15)2-1-7-13-14/h1-2,7-8H,3-6H2
InChIKeyNEFRUMSAMLBPON-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.99
Rot. Bonds1

About 2-(4,4-difluorocyclohexyl)pyridazin-3-one

2-(4,4-difluorocyclohexyl)pyridazin-3-one (PubChem CID 175957551) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)pyridazin-3-one
PubChem CID175957551
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name2-(4,4-difluorocyclohexyl)pyridazin-3-one
SMILESO=c1cccnn1C1CCC(F)(F)CC1
InChIInChI=1S/C10H12F2N2O/c11-10(12)5-3-8(4-6-10)14-9(15)2-1-7-13-14/h1-2,7-8H,3-6H2
InChIKeyNEFRUMSAMLBPON-UHFFFAOYSA-N
XLogP1.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.99
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)pyridazin-3-one?
The IUPAC name of 2-(4,4-difluorocyclohexyl)pyridazin-3-one (CID 175957551) is 2-(4,4-difluorocyclohexyl)pyridazin-3-one.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)pyridazin-3-one?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)pyridazin-3-one is O=c1cccnn1C1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)pyridazin-3-one?
The InChIKey is NEFRUMSAMLBPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c11-10(12)5-3-8(4-6-10)14-9(15)2-1-7-13-14/h1-2,7-8H,3-6H2.
What are the key properties of 2-(4,4-difluorocyclohexyl)pyridazin-3-one?
2-(4,4-difluorocyclohexyl)pyridazin-3-one has a molecular weight of 214.22 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)pyridazin-3-one is sourced from PubChem (CID 175957551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).