3-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1H-pyridazin-6-one

C11H11FN2O — CID 163917233

IUPAC3-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1H-pyridazin-6-one
SMILESCC1CC=C(F)C=C1c1ccc(=O)[nH]n1
InChIInChI=1S/C11H11FN2O/c1-7-2-3-8(12)6-9(7)10-4-5-11(15)14-13-10/h3-7H,2H2,1H3,(H,14,15)
InChIKeyQXHZZPIPLIHWTC-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.05
Rot. Bonds1

About 3-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1H-pyridazin-6-one

3-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1H-pyridazin-6-one (PubChem CID 163917233) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1H-pyridazin-6-one
PubChem CID163917233
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name3-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1H-pyridazin-6-one
SMILESCC1CC=C(F)C=C1c1ccc(=O)[nH]n1
InChIInChI=1S/C11H11FN2O/c1-7-2-3-8(12)6-9(7)10-4-5-11(15)14-13-10/h3-7H,2H2,1H3,(H,14,15)
InChIKeyQXHZZPIPLIHWTC-UHFFFAOYSA-N
XLogP2.05
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-methyl-1H-pyrazol-5-one
CID 6391620
3-propan-2-yl-4-(trifluoromethyl)-1H-pyridazin-6-one
CID 138551387
4-(difluoromethyl)-3-propan-2-yl-1H-pyridazin-6-one
CID 141654353
7-(trifluoromethyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one
CID 172563798
6-(trifluoromethyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one
CID 64754858
CID 162557475
CID 162557475
4-methyl-3-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1H-pyridazin-6-one
CID 162557483
6-(4,4-Difluorocyclohexyl)pyridazin-3(2H)-one
CID 177816021
3-(2-methylpropyl)-1H-pyridazin-6-one
CID 13735304
8-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one
CID 14363894
3-cyclohexa-1,5-dien-1-yl-1H-pyridazin-6-one
CID 19884664
6-Methyl-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 20441551

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1H-pyridazin-6-one (CID 163917233) is 3-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1H-pyridazin-6-one is CC1CC=C(F)C=C1c1ccc(=O)[nH]n1.
What is the InChIKey of 3-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1H-pyridazin-6-one?
The InChIKey is QXHZZPIPLIHWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7-2-3-8(12)6-9(7)10-4-5-11(15)14-13-10/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 3-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1H-pyridazin-6-one?
3-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1H-pyridazin-6-one has a molecular weight of 206.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 163917233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).