2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol

C14H12F3NO2 — CID 58174246

IUPAC2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol
SMILESOCCc1ccc(Oc2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)11-5-7-18-13(9-11)20-12-3-1-10(2-4-12)6-8-19/h1-5,7,9,19H,6,8H2
InChIKeyNEQWPQSNFJUCGR-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.43
Rot. Bonds4

About 2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol

2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol (PubChem CID 58174246) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol
PubChem CID58174246
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol
SMILESOCCc1ccc(Oc2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)11-5-7-18-13(9-11)20-12-3-1-10(2-4-12)6-8-19/h1-5,7,9,19H,6,8H2
InChIKeyNEQWPQSNFJUCGR-UHFFFAOYSA-N
XLogP3.43
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol?
The IUPAC name of 2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol (CID 58174246) is 2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol is OCCc1ccc(Oc2cc(C(F)(F)F)ccn2)cc1.
What is the InChIKey of 2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol?
The InChIKey is NEQWPQSNFJUCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)11-5-7-18-13(9-11)20-12-3-1-10(2-4-12)6-8-19/h1-5,7,9,19H,6,8H2.
What are the key properties of 2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol?
2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol has a molecular weight of 283.25 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol is sourced from PubChem (CID 58174246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).