5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one

C10H14F2N2O — CID 171493514

IUPAC5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(C(F)(F)CC)c1C
InChIInChI=1S/C10H14F2N2O/c1-4-7-6(3)8(9(15)14-13-7)10(11,12)5-2/h4-5H2,1-3H3,(H,14,15)
InChIKeyHOXYTSUTGJVKQS-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.14
Rot. Bonds3

About 5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one

5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one (PubChem CID 171493514) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one
PubChem CID171493514
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(C(F)(F)CC)c1C
InChIInChI=1S/C10H14F2N2O/c1-4-7-6(3)8(9(15)14-13-7)10(11,12)5-2/h4-5H2,1-3H3,(H,14,15)
InChIKeyHOXYTSUTGJVKQS-UHFFFAOYSA-N
XLogP2.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-5,6-tetramethylene-4-(trifluoromethyl)pyridazine
CID 12170155
5-ethyl-3,4-dimethyl-1H-pyridazin-6-one
CID 134913192
4-(trifluoromethyl)-2,5,6,7-tetrahydro-3H-cyclopenta[c]pyridazin-3-one
CID 16227728
3-butyl-4-chloro-5-(difluoromethyl)-1H-pyridazin-6-one
CID 67759428
3-propyl-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 123343066
7,7-Difluoro-4-methyl-2,5,6,8-tetrahydrophthalazin-1-one
CID 155363396
ethane;3-ethyl-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171492708
3-ethyl-4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171492774
3,4-dimethyl-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171492858
4-ethyl-3-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171493010
3-(1-bromoethyl)-4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one;ethane
CID 171493014
3-(1-bromoethyl)-4-methyl-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171493015

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one?
The IUPAC name of 5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one (CID 171493514) is 5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one is CCc1n[nH]c(=O)c(C(F)(F)CC)c1C.
What is the InChIKey of 5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one?
The InChIKey is HOXYTSUTGJVKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-4-7-6(3)8(9(15)14-13-7)10(11,12)5-2/h4-5H2,1-3H3,(H,14,15).
What are the key properties of 5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one?
5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one has a molecular weight of 216.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 171493514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).