2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol

C18H11F4NO2 — CID 166636425

IUPAC2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol
SMILESOc1cc(Oc2cccc(-c3cccc(C(F)(F)F)c3)n2)ccc1F
InChIInChI=1S/C18H11F4NO2/c19-14-8-7-13(10-16(14)24)25-17-6-2-5-15(23-17)11-3-1-4-12(9-11)18(20,21)22/h1-10,24H
InChIKeyNYERIQWOCOZBEO-UHFFFAOYSA-N
MW349.28 g/mol
LogP5.40
Rot. Bonds3

About 2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol

2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol (PubChem CID 166636425) has the molecular formula C18H11F4NO2 and a molecular weight of 349.28 g/mol. Its IUPAC name is 2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol.

Molecular Properties

Compound Name2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol
PubChem CID166636425
Molecular FormulaC18H11F4NO2
Molecular Weight349.28 g/mol
Exact Mass349.07
IUPAC Name2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol
SMILESOc1cc(Oc2cccc(-c3cccc(C(F)(F)F)c3)n2)ccc1F
InChIInChI=1S/C18H11F4NO2/c19-14-8-7-13(10-16(14)24)25-17-6-2-5-15(23-17)11-3-1-4-12(9-11)18(20,21)22/h1-10,24H
InChIKeyNYERIQWOCOZBEO-UHFFFAOYSA-N
XLogP5.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.28
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 166636586
[3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 133089809
2-phenoxy-6-[4-(trifluoromethyl)phenyl]pyridine
CID 102190448
3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 88932507
2-methyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
CID 18921384
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole
CID 18921392
2-fluoro-3-[4-(4-fluoro-3-hydroxyphenoxy)pyrimidin-2-yl]phenol
CID 163582211
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 18356785
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
1-[2-fluoro-5-[[6-(1-methylimidazol-4-yl)-2-pyridinyl]oxy]phenyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
CID 143499634

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol?
The IUPAC name of 2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol (CID 166636425) is 2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol.
What is the SMILES notation for 2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol?
The canonical SMILES for 2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol is Oc1cc(Oc2cccc(-c3cccc(C(F)(F)F)c3)n2)ccc1F.
What is the InChIKey of 2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol?
The InChIKey is NYERIQWOCOZBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4NO2/c19-14-8-7-13(10-16(14)24)25-17-6-2-5-15(23-17)11-3-1-4-12(9-11)18(20,21)22/h1-10,24H.
What are the key properties of 2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol?
2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol has a molecular weight of 349.28 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol is sourced from PubChem (CID 166636425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).