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

C14H11ClF4N2O2 — CID 12056597

IUPAC2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one
SMILESCCc1c(C(F)(F)F)cnn(-c2cc(OC)c(Cl)cc2F)c1=O
InChIInChI=1S/C14H11ClF4N2O2/c1-3-7-8(14(17,18)19)6-20-21(13(7)22)11-5-12(23-2)9(15)4-10(11)16/h4-6H,3H2,1-2H3
InChIKeyZQDYBHNCAHSHON-UHFFFAOYSA-N
MW350.70 g/mol
LogP3.61
Rot. Bonds3

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

2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one (PubChem CID 12056597) has the molecular formula C14H11ClF4N2O2 and a molecular weight of 350.70 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one
PubChem CID12056597
Molecular FormulaC14H11ClF4N2O2
Molecular Weight350.70 g/mol
Exact Mass350.04
IUPAC Name2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one
SMILESCCc1c(C(F)(F)F)cnn(-c2cc(OC)c(Cl)cc2F)c1=O
InChIInChI=1S/C14H11ClF4N2O2/c1-3-7-8(14(17,18)19)6-20-21(13(7)22)11-5-12(23-2)9(15)4-10(11)16/h4-6H,3H2,1-2H3
InChIKeyZQDYBHNCAHSHON-UHFFFAOYSA-N
XLogP3.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.70
LogP ≤ 53.61
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-methoxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one (CID 12056597) is 2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one is CCc1c(C(F)(F)F)cnn(-c2cc(OC)c(Cl)cc2F)c1=O.
What is the InChIKey of 2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one?
The InChIKey is ZQDYBHNCAHSHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF4N2O2/c1-3-7-8(14(17,18)19)6-20-21(13(7)22)11-5-12(23-2)9(15)4-10(11)16/h4-6H,3H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one?
2-(4-chloro-2-fluoro-5-methoxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one has a molecular weight of 350.70 g/mol, XLogP of 3.61, 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-methoxyphenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 12056597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).