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

C16H15ClF4N2O2 — CID 18330786

IUPAC2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one
SMILESCCc1c(C(F)(F)F)cnn(-c2cc(OC(C)C)c(Cl)cc2F)c1=O
InChIInChI=1S/C16H15ClF4N2O2/c1-4-9-10(16(19,20)21)7-22-23(15(9)24)13-6-14(25-8(2)3)11(17)5-12(13)18/h5-8H,4H2,1-3H3
InChIKeyMCXYLRFZYLRMIU-UHFFFAOYSA-N
MW378.75 g/mol
LogP4.39
Rot. Bonds4

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

2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one (PubChem CID 18330786) has the molecular formula C16H15ClF4N2O2 and a molecular weight of 378.75 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one
PubChem CID18330786
Molecular FormulaC16H15ClF4N2O2
Molecular Weight378.75 g/mol
Exact Mass378.08
IUPAC Name2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one
SMILESCCc1c(C(F)(F)F)cnn(-c2cc(OC(C)C)c(Cl)cc2F)c1=O
InChIInChI=1S/C16H15ClF4N2O2/c1-4-9-10(16(19,20)21)7-22-23(15(9)24)13-6-14(25-8(2)3)11(17)5-12(13)18/h5-8H,4H2,1-3H3
InChIKeyMCXYLRFZYLRMIU-UHFFFAOYSA-N
XLogP4.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.75
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one (CID 18330786) is 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one is CCc1c(C(F)(F)F)cnn(-c2cc(OC(C)C)c(Cl)cc2F)c1=O.
What is the InChIKey of 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one?
The InChIKey is MCXYLRFZYLRMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF4N2O2/c1-4-9-10(16(19,20)21)7-22-23(15(9)24)13-6-14(25-8(2)3)11(17)5-12(13)18/h5-8H,4H2,1-3H3.
What are the key properties of 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one?
2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one has a molecular weight of 378.75 g/mol, XLogP of 4.39, 4 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)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 18330786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).