2-(4-chlorophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone

C20H12Cl2F3NO2 — CID 14075828

IUPAC2-(4-chlorophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C20H12Cl2F3NO2/c21-15-5-1-12(2-6-15)9-18(27)13-3-7-16(8-4-13)28-19-17(22)10-14(11-26-19)20(23,24)25/h1-8,10-11H,9H2
InChIKeySOFQELWMMGRJDC-UHFFFAOYSA-N
MW426.22 g/mol
LogP6.62
Rot. Bonds5

About 2-(4-chlorophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone

2-(4-chlorophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone (PubChem CID 14075828) has the molecular formula C20H12Cl2F3NO2 and a molecular weight of 426.22 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
PubChem CID14075828
Molecular FormulaC20H12Cl2F3NO2
Molecular Weight426.22 g/mol
Exact Mass425.02
IUPAC Name2-(4-chlorophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C20H12Cl2F3NO2/c21-15-5-1-12(2-6-15)9-18(27)13-3-7-16(8-4-13)28-19-17(22)10-14(11-26-19)20(23,24)25/h1-8,10-11H,9H2
InChIKeySOFQELWMMGRJDC-UHFFFAOYSA-N
XLogP6.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.22
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone (CID 14075828) is 2-(4-chlorophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone is O=C(Cc1ccc(Cl)cc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone?
The InChIKey is SOFQELWMMGRJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F3NO2/c21-15-5-1-12(2-6-15)9-18(27)13-3-7-16(8-4-13)28-19-17(22)10-14(11-26-19)20(23,24)25/h1-8,10-11H,9H2.
What are the key properties of 2-(4-chlorophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone?
2-(4-chlorophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone has a molecular weight of 426.22 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone is sourced from PubChem (CID 14075828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).