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

C20H20F3NO3 — CID 91667399

IUPAC(3R)-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?/m1/s1
InChIKeyTVXSEYQIZAVRRR-BSOCMFCZSA-N
MW379.38 g/mol
LogP2.91
Rot. Bonds4

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

(3R)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol (PubChem CID 91667399) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is (3R)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol
PubChem CID91667399
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name(3R)-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?/m1/s1
InChIKeyTVXSEYQIZAVRRR-BSOCMFCZSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol (CID 91667399) is (3R)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-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 (3R)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol?
The InChIKey is TVXSEYQIZAVRRR-BSOCMFCZSA-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?/m1/s1.
What are the key properties of (3R)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol?
(3R)-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 (3R)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-3-ol is sourced from PubChem (CID 91667399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).