5-(hydroxymethyl)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one

C21H20F3NO4 — CID 59492975

IUPAC5-(hydroxymethyl)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
SMILESO=C1CCC(CO)N1CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H20F3NO4/c22-21(23,24)20(28)17-4-2-1-3-15(17)16-7-6-14(11-18(16)20)29-10-9-25-13(12-26)5-8-19(25)27/h1-4,6-7,11,13,26,28H,5,8-10,12H2
InChIKeyLDSBVRBLWIEJQK-UHFFFAOYSA-N
MW407.39 g/mol
LogP2.83
Rot. Bonds5

About 5-(hydroxymethyl)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one

5-(hydroxymethyl)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 59492975) has the molecular formula C21H20F3NO4 and a molecular weight of 407.39 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
PubChem CID59492975
Molecular FormulaC21H20F3NO4
Molecular Weight407.39 g/mol
Exact Mass407.13
IUPAC Name5-(hydroxymethyl)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
SMILESO=C1CCC(CO)N1CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H20F3NO4/c22-21(23,24)20(28)17-4-2-1-3-15(17)16-7-6-14(11-18(16)20)29-10-9-25-13(12-26)5-8-19(25)27/h1-4,6-7,11,13,26,28H,5,8-10,12H2
InChIKeyLDSBVRBLWIEJQK-UHFFFAOYSA-N
XLogP2.83
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one (CID 59492975) is 5-(hydroxymethyl)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one is O=C1CCC(CO)N1CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 5-(hydroxymethyl)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is LDSBVRBLWIEJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO4/c22-21(23,24)20(28)17-4-2-1-3-15(17)16-7-6-14(11-18(16)20)29-10-9-25-13(12-26)5-8-19(25)27/h1-4,6-7,11,13,26,28H,5,8-10,12H2.
What are the key properties of 5-(hydroxymethyl)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?
5-(hydroxymethyl)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 407.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 59492975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).