[4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol

C20H22F3NO4 — CID 145415565

IUPAC[4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol
SMILESOCc1ccc(OCCN2CCC(Oc3ccc(OC(F)(F)F)cc3)C2)cc1
InChIInChI=1S/C20H22F3NO4/c21-20(22,23)28-18-7-5-17(6-8-18)27-19-9-10-24(13-19)11-12-26-16-3-1-15(14-25)2-4-16/h1-8,19,25H,9-14H2
InChIKeyVLUHKBBXFPAVBD-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.61
Rot. Bonds8

About [4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol

[4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol (PubChem CID 145415565) has the molecular formula C20H22F3NO4 and a molecular weight of 397.39 g/mol. Its IUPAC name is [4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol
PubChem CID145415565
Molecular FormulaC20H22F3NO4
Molecular Weight397.39 g/mol
Exact Mass397.15
IUPAC Name[4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol
SMILESOCc1ccc(OCCN2CCC(Oc3ccc(OC(F)(F)F)cc3)C2)cc1
InChIInChI=1S/C20H22F3NO4/c21-20(22,23)28-18-7-5-17(6-8-18)27-19-9-10-24(13-19)11-12-26-16-3-1-15(14-25)2-4-16/h1-8,19,25H,9-14H2
InChIKeyVLUHKBBXFPAVBD-UHFFFAOYSA-N
XLogP3.61
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(hydroxymethyl)phenoxy]ethyl]pyrrolidin-3-ol;trifluoromethoxybenzene
CID 145415282
1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol
CID 111510943
[4-[2-[3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol
CID 145415484
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine
CID 10137339
1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 67298811
2-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]acetamide
CID 67524289
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
[4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol
CID 145415480
(3S)-3-[4-(chloromethyl)phenoxy]-1-(3-fluoropropyl)pyrrolidine
CID 154703687

Frequently Asked Questions

What is the IUPAC name of [4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol?
The IUPAC name of [4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol (CID 145415565) is [4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol.
What is the SMILES notation for [4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol?
The canonical SMILES for [4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol is OCc1ccc(OCCN2CCC(Oc3ccc(OC(F)(F)F)cc3)C2)cc1.
What is the InChIKey of [4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol?
The InChIKey is VLUHKBBXFPAVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO4/c21-20(22,23)28-18-7-5-17(6-8-18)27-19-9-10-24(13-19)11-12-26-16-3-1-15(14-25)2-4-16/h1-8,19,25H,9-14H2.
What are the key properties of [4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol?
[4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol has a molecular weight of 397.39 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol is sourced from PubChem (CID 145415565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).