2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone

C28H27F4NO3 — CID 140911754

IUPAC2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1-c1ccc(F)cc1O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C28H27F4NO3/c29-22-10-11-23(25(34)17-22)24-6-1-2-7-26(24)36-18-27(35)33-14-12-19(13-15-33)8-9-20-4-3-5-21(16-20)28(30,31)32/h1-7,10-11,16-17,19,34H,8-9,12-15,18H2
InChIKeyLZGXKWLVMOFSBV-UHFFFAOYSA-N
MW501.52 g/mol
LogP6.47
Rot. Bonds7

About 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone

2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone (PubChem CID 140911754) has the molecular formula C28H27F4NO3 and a molecular weight of 501.52 g/mol. Its IUPAC name is 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
PubChem CID140911754
Molecular FormulaC28H27F4NO3
Molecular Weight501.52 g/mol
Exact Mass501.19
IUPAC Name2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1-c1ccc(F)cc1O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C28H27F4NO3/c29-22-10-11-23(25(34)17-22)24-6-1-2-7-26(24)36-18-27(35)33-14-12-19(13-15-33)8-9-20-4-3-5-21(16-20)28(30,31)32/h1-7,10-11,16-17,19,34H,8-9,12-15,18H2
InChIKeyLZGXKWLVMOFSBV-UHFFFAOYSA-N
XLogP6.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.52
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(4-Benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 887582
N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide
CID 2538771
4-{8-Fluoro-5-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[b]oxepin-4-yl}-phenol
CID 44590136
Las 30538
CID 132693
4-Benzyl-1-[2-(2-methylphenoxy)propanoyl]piperidine
CID 2977952
2-(2-Fluorophenoxy)-1-(2-phenylmorpholino)ethanone
CID 16894730
1-(4-((Benzyloxy)methyl)piperidin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 49677785
1-(4-Benzylpiperidin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 2329759
2-(4-Fluorophenoxy)-1-(2-phenylmorpholino)ethanone
CID 16894731
Diphenyl-[1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]methanol
CID 44907112
2-Phenoxy-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-one
CID 46086847
2-(3-Fluorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone
CID 51327385

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone (CID 140911754) is 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone is O=C(COc1ccccc1-c1ccc(F)cc1O)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone?
The InChIKey is LZGXKWLVMOFSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F4NO3/c29-22-10-11-23(25(34)17-22)24-6-1-2-7-26(24)36-18-27(35)33-14-12-19(13-15-33)8-9-20-4-3-5-21(16-20)28(30,31)32/h1-7,10-11,16-17,19,34H,8-9,12-15,18H2.
What are the key properties of 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone?
2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 501.52 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 140911754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).