2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one

C15H13ClF4N2O2 — CID 10926600

IUPAC2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one
SMILESCc1nn(-c2cc(OC(C)C)c(Cl)cc2F)c(=O)cc1C(F)(F)F
InChIInChI=1S/C15H13ClF4N2O2/c1-7(2)24-13-6-12(11(17)5-10(13)16)22-14(23)4-9(8(3)21-22)15(18,19)20/h4-7H,1-3H3
InChIKeyOKUYWOIJXRDMMG-UHFFFAOYSA-N
MW364.73 g/mol
LogP4.14
Rot. Bonds3

About 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one

2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one (PubChem CID 10926600) has the molecular formula C15H13ClF4N2O2 and a molecular weight of 364.73 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one
PubChem CID10926600
Molecular FormulaC15H13ClF4N2O2
Molecular Weight364.73 g/mol
Exact Mass364.06
IUPAC Name2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one
SMILESCc1nn(-c2cc(OC(C)C)c(Cl)cc2F)c(=O)cc1C(F)(F)F
InChIInChI=1S/C15H13ClF4N2O2/c1-7(2)24-13-6-12(11(17)5-10(13)16)22-14(23)4-9(8(3)21-22)15(18,19)20/h4-7H,1-3H3
InChIKeyOKUYWOIJXRDMMG-UHFFFAOYSA-N
XLogP4.14
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.73
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichloro-5-propan-2-yloxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione
CID 14276943
2-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-4-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 18689486
2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]phenoxy]acetaldehyde
CID 18689487
methyl 2-[2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]phenoxy]phenoxy]propanoate
CID 139895627
2-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 22898321
(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol
CID 21200446
1-(4-chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethoxy)-3-methylpyrazole-5-carboxamide
CID 139836354
diethylamino 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]phenoxy]acetate
CID 22003549
(5R)-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 110188976
ethyl 4-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxylate
CID 56690670
2-[4-chloro-5-(2-chloroprop-2-enoxy)-2-fluorophenyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one;2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 160842098
2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-5-(trifluoromethyl)pyridazin-3-one;2-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-4-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 157392224

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one (CID 10926600) is 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one is Cc1nn(-c2cc(OC(C)C)c(Cl)cc2F)c(=O)cc1C(F)(F)F.
What is the InChIKey of 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one?
The InChIKey is OKUYWOIJXRDMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF4N2O2/c1-7(2)24-13-6-12(11(17)5-10(13)16)22-14(23)4-9(8(3)21-22)15(18,19)20/h4-7H,1-3H3.
What are the key properties of 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one?
2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one has a molecular weight of 364.73 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 10926600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).