1-[2-[9-hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one

C21H20F3NO4 — CID 59492553

IUPAC1-[2-[9-hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1cc(CO)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H20F3NO4/c22-21(23,24)20(28)16-5-2-1-4-15(16)19-13(12-26)10-14(11-17(19)20)29-9-8-25-7-3-6-18(25)27/h1-2,4-5,10-11,26,28H,3,6-9,12H2
InChIKeyYLGODYDRPMCHOU-UHFFFAOYSA-N
MW407.39 g/mol
LogP2.96
Rot. Bonds5

About 1-[2-[9-hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one

1-[2-[9-hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 59492553) has the molecular formula C21H20F3NO4 and a molecular weight of 407.39 g/mol. Its IUPAC name is 1-[2-[9-hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[9-hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
PubChem CID59492553
Molecular FormulaC21H20F3NO4
Molecular Weight407.39 g/mol
Exact Mass407.13
IUPAC Name1-[2-[9-hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1cc(CO)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H20F3NO4/c22-21(23,24)20(28)16-5-2-1-4-15(16)19-13(12-26)10-14(11-17(19)20)29-9-8-25-7-3-6-18(25)27/h1-2,4-5,10-11,26,28H,3,6-9,12H2
InChIKeyYLGODYDRPMCHOU-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate
CID 59492476
3-[2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one
CID 59492478
1-(2-Hydroxyethyl)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492513
3-[2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazolidin-2-one
CID 59492540
5-[[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one
CID 59492559
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide
CID 59492562
5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide
CID 59492588
1-[4-(Hydroxymethyl)piperidin-1-yl]-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone
CID 59492596
N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide
CID 59492614
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylacetamide
CID 59492675
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylbutanamide
CID 59492684
5-[[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492699

Frequently Asked Questions

What is the IUPAC name of 1-[2-[9-hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[9-hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one (CID 59492553) is 1-[2-[9-hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[9-hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[9-hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one is O=C1CCCN1CCOc1cc(CO)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 1-[2-[9-hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is YLGODYDRPMCHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO4/c22-21(23,24)20(28)16-5-2-1-4-15(16)19-13(12-26)10-14(11-17(19)20)29-9-8-25-7-3-6-18(25)27/h1-2,4-5,10-11,26,28H,3,6-9,12H2.
What are the key properties of 1-[2-[9-hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?
1-[2-[9-hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 407.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[9-hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 59492553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).