(3S)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol

C20H20F3NO3 — CID 91667398

IUPAC(3S)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(CCOc2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1
InChIInChI=1S/C20H20F3NO3/c21-20(22,23)19(26)17-4-2-1-3-15(17)16-6-5-14(11-18(16)19)27-10-9-24-8-7-13(25)12-24/h1-6,11,13,25-26H,7-10,12H2/t13-,19?/m0/s1
InChIKeyTVXSEYQIZAVRRR-YTJLLHSVSA-N
MW379.38 g/mol
LogP2.91
Rot. Bonds4

About (3S)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol

(3S)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol (PubChem CID 91667398) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is (3S)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol
PubChem CID91667398
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name(3S)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(CCOc2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1
InChIInChI=1S/C20H20F3NO3/c21-20(22,23)19(26)17-4-2-1-3-15(17)16-6-5-14(11-18(16)19)27-10-9-24-8-7-13(25)12-24/h1-6,11,13,25-26H,7-10,12H2/t13-,19?/m0/s1
InChIKeyTVXSEYQIZAVRRR-YTJLLHSVSA-N
XLogP2.91
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol with MolForge

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Related Compounds

US9714221, Example 44
CID 130232322
US9714221, Example 11
CID 130232334
US9714221, Example 111
CID 130232392
US9714221, Example 214
CID 130232400
US9714221, Example 165
CID 130232762
CID 130232950
CID 130232950
US9714221, Example 6
CID 130233179
US9714221, Example 1
CID 130233199
8-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-7-(4-hydroxyphenyl)-5,6-dihydronaphthalen-2-ol
CID 134521164
7-(4-hydroxyphenyl)-8-[4-[(3S)-1-propylpyrrolidin-3-yl]oxyphenyl]-5,6-dihydronaphthalen-2-ol
CID 155529729
8-[4-[(3S)-1-ethylpyrrolidin-3-yl]oxyphenyl]-7-(4-hydroxyphenyl)-5,6-dihydronaphthalen-2-ol
CID 155559518
1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidin-3-ol
CID 18678235

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol (CID 91667398) is (3S)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol is O[C@H]1CCN(CCOc2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1.
What is the InChIKey of (3S)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol?
The InChIKey is TVXSEYQIZAVRRR-YTJLLHSVSA-N. The full InChI is InChI=1S/C20H20F3NO3/c21-20(22,23)19(26)17-4-2-1-3-15(17)16-6-5-14(11-18(16)19)27-10-9-24-8-7-13(25)12-24/h1-6,11,13,25-26H,7-10,12H2/t13-,19?/m0/s1.
What are the key properties of (3S)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol?
(3S)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol has a molecular weight of 379.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol is sourced from PubChem (CID 91667398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).