2-[2-[[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]oxy]phenyl]ethanol

C22H17F4NO3 — CID 89310357

IUPAC2-[2-[[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]oxy]phenyl]ethanol
SMILESOCCc1ccccc1Oc1ccc(C(F)(F)C2(c3ccc(F)cc3F)CO2)nc1
InChIInChI=1S/C22H17F4NO3/c23-15-5-7-17(18(24)11-15)21(13-29-21)22(25,26)20-8-6-16(12-27-20)30-19-4-2-1-3-14(19)9-10-28/h1-8,11-12,28H,9-10,13H2
InChIKeySXZNUVMGSBCWGG-UHFFFAOYSA-N
MW419.37 g/mol
LogP4.70
Rot. Bonds7

About 2-[2-[[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]oxy]phenyl]ethanol

2-[2-[[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]oxy]phenyl]ethanol (PubChem CID 89310357) has the molecular formula C22H17F4NO3 and a molecular weight of 419.37 g/mol. Its IUPAC name is 2-[2-[[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]oxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]oxy]phenyl]ethanol
PubChem CID89310357
Molecular FormulaC22H17F4NO3
Molecular Weight419.37 g/mol
Exact Mass419.11
IUPAC Name2-[2-[[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]oxy]phenyl]ethanol
SMILESOCCc1ccccc1Oc1ccc(C(F)(F)C2(c3ccc(F)cc3F)CO2)nc1
InChIInChI=1S/C22H17F4NO3/c23-15-5-7-17(18(24)11-15)21(13-29-21)22(25,26)20-8-6-16(12-27-20)30-19-4-2-1-3-14(19)9-10-28/h1-8,11-12,28H,9-10,13H2
InChIKeySXZNUVMGSBCWGG-UHFFFAOYSA-N
XLogP4.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[2-[[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]oxy]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]oxy]phenyl]ethanol?
The IUPAC name of 2-[2-[[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]oxy]phenyl]ethanol (CID 89310357) is 2-[2-[[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]oxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]oxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]oxy]phenyl]ethanol is OCCc1ccccc1Oc1ccc(C(F)(F)C2(c3ccc(F)cc3F)CO2)nc1.
What is the InChIKey of 2-[2-[[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]oxy]phenyl]ethanol?
The InChIKey is SXZNUVMGSBCWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4NO3/c23-15-5-7-17(18(24)11-15)21(13-29-21)22(25,26)20-8-6-16(12-27-20)30-19-4-2-1-3-14(19)9-10-28/h1-8,11-12,28H,9-10,13H2.
What are the key properties of 2-[2-[[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]oxy]phenyl]ethanol?
2-[2-[[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]oxy]phenyl]ethanol has a molecular weight of 419.37 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]oxy]phenyl]ethanol is sourced from PubChem (CID 89310357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).