3-[6-[3-(difluoromethyl)-4-fluorophenoxy]-2-pyridinyl]-2-fluorophenol

C18H11F4NO2 — CID 166631484

IUPAC3-[6-[3-(difluoromethyl)-4-fluorophenoxy]-2-pyridinyl]-2-fluorophenol
SMILESOc1cccc(-c2cccc(Oc3ccc(F)c(C(F)F)c3)n2)c1F
InChIInChI=1S/C18H11F4NO2/c19-13-8-7-10(9-12(13)18(21)22)25-16-6-2-4-14(23-16)11-3-1-5-15(24)17(11)20/h1-9,18,24H
InChIKeyDIFPWSVYPUGFBY-UHFFFAOYSA-N
MW349.28 g/mol
LogP5.46
Rot. Bonds4

About 3-[6-[3-(difluoromethyl)-4-fluorophenoxy]-2-pyridinyl]-2-fluorophenol

3-[6-[3-(difluoromethyl)-4-fluorophenoxy]-2-pyridinyl]-2-fluorophenol (PubChem CID 166631484) has the molecular formula C18H11F4NO2 and a molecular weight of 349.28 g/mol. Its IUPAC name is 3-[6-[3-(difluoromethyl)-4-fluorophenoxy]-2-pyridinyl]-2-fluorophenol.

Molecular Properties

Compound Name3-[6-[3-(difluoromethyl)-4-fluorophenoxy]-2-pyridinyl]-2-fluorophenol
PubChem CID166631484
Molecular FormulaC18H11F4NO2
Molecular Weight349.28 g/mol
Exact Mass349.07
IUPAC Name3-[6-[3-(difluoromethyl)-4-fluorophenoxy]-2-pyridinyl]-2-fluorophenol
SMILESOc1cccc(-c2cccc(Oc3ccc(F)c(C(F)F)c3)n2)c1F
InChIInChI=1S/C18H11F4NO2/c19-13-8-7-10(9-12(13)18(21)22)25-16-6-2-4-14(23-16)11-3-1-5-15(24)17(11)20/h1-9,18,24H
InChIKeyDIFPWSVYPUGFBY-UHFFFAOYSA-N
XLogP5.46
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.28
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(difluoromethyl)-4-fluorophenoxy]-2-pyridinyl]-2-fluorophenol?
The IUPAC name of 3-[6-[3-(difluoromethyl)-4-fluorophenoxy]-2-pyridinyl]-2-fluorophenol (CID 166631484) is 3-[6-[3-(difluoromethyl)-4-fluorophenoxy]-2-pyridinyl]-2-fluorophenol.
What is the SMILES notation for 3-[6-[3-(difluoromethyl)-4-fluorophenoxy]-2-pyridinyl]-2-fluorophenol?
The canonical SMILES for 3-[6-[3-(difluoromethyl)-4-fluorophenoxy]-2-pyridinyl]-2-fluorophenol is Oc1cccc(-c2cccc(Oc3ccc(F)c(C(F)F)c3)n2)c1F.
What is the InChIKey of 3-[6-[3-(difluoromethyl)-4-fluorophenoxy]-2-pyridinyl]-2-fluorophenol?
The InChIKey is DIFPWSVYPUGFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4NO2/c19-13-8-7-10(9-12(13)18(21)22)25-16-6-2-4-14(23-16)11-3-1-5-15(24)17(11)20/h1-9,18,24H.
What are the key properties of 3-[6-[3-(difluoromethyl)-4-fluorophenoxy]-2-pyridinyl]-2-fluorophenol?
3-[6-[3-(difluoromethyl)-4-fluorophenoxy]-2-pyridinyl]-2-fluorophenol has a molecular weight of 349.28 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(difluoromethyl)-4-fluorophenoxy]-2-pyridinyl]-2-fluorophenol is sourced from PubChem (CID 166631484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).