[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2,3,3,3-tetrafluoro-2-methoxypropanoate

C15H9Cl2F4NO4 — CID 3383666

IUPAC[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2,3,3,3-tetrafluoro-2-methoxypropanoate
SMILESCOC(F)(C(=O)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(F)(F)F
InChIInChI=1S/C15H9Cl2F4NO4/c1-24-14(18,15(19,20)21)13(23)26-10-4-2-9(3-5-10)25-12-11(17)6-8(16)7-22-12/h2-7H,1H3
InChIKeyGCNZZRQWQOMWSE-UHFFFAOYSA-N
MW414.14 g/mol
LogP4.96
Rot. Bonds5

About [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2,3,3,3-tetrafluoro-2-methoxypropanoate

[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2,3,3,3-tetrafluoro-2-methoxypropanoate (PubChem CID 3383666) has the molecular formula C15H9Cl2F4NO4 and a molecular weight of 414.14 g/mol. Its IUPAC name is [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2,3,3,3-tetrafluoro-2-methoxypropanoate.

Molecular Properties

Compound Name[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2,3,3,3-tetrafluoro-2-methoxypropanoate
PubChem CID3383666
Molecular FormulaC15H9Cl2F4NO4
Molecular Weight414.14 g/mol
Exact Mass412.98
IUPAC Name[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2,3,3,3-tetrafluoro-2-methoxypropanoate
SMILESCOC(F)(C(=O)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(F)(F)F
InChIInChI=1S/C15H9Cl2F4NO4/c1-24-14(18,15(19,20)21)13(23)26-10-4-2-9(3-5-10)25-12-11(17)6-8(16)7-22-12/h2-7H,1H3
InChIKeyGCNZZRQWQOMWSE-UHFFFAOYSA-N
XLogP4.96
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.14
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2,3,3,3-tetrafluoro-2-methoxypropanoate?
The IUPAC name of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2,3,3,3-tetrafluoro-2-methoxypropanoate (CID 3383666) is [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2,3,3,3-tetrafluoro-2-methoxypropanoate.
What is the SMILES notation for [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2,3,3,3-tetrafluoro-2-methoxypropanoate?
The canonical SMILES for [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2,3,3,3-tetrafluoro-2-methoxypropanoate is COC(F)(C(=O)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(F)(F)F.
What is the InChIKey of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2,3,3,3-tetrafluoro-2-methoxypropanoate?
The InChIKey is GCNZZRQWQOMWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F4NO4/c1-24-14(18,15(19,20)21)13(23)26-10-4-2-9(3-5-10)25-12-11(17)6-8(16)7-22-12/h2-7H,1H3.
What are the key properties of [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2,3,3,3-tetrafluoro-2-methoxypropanoate?
[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2,3,3,3-tetrafluoro-2-methoxypropanoate has a molecular weight of 414.14 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] 2,3,3,3-tetrafluoro-2-methoxypropanoate is sourced from PubChem (CID 3383666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).