1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-2-one

C21H20F3NO3 — CID 59492756

IUPAC1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-2-one
SMILESO=C1CCCCN1CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H20F3NO3/c22-21(23,24)20(27)17-6-2-1-5-15(17)16-9-8-14(13-18(16)20)28-12-11-25-10-4-3-7-19(25)26/h1-2,5-6,8-9,13,27H,3-4,7,10-12H2
InChIKeyQXEJKQDFBHXRQR-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.86
Rot. Bonds4

About 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-2-one

1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-2-one (PubChem CID 59492756) has the molecular formula C21H20F3NO3 and a molecular weight of 391.39 g/mol. Its IUPAC name is 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-2-one
PubChem CID59492756
Molecular FormulaC21H20F3NO3
Molecular Weight391.39 g/mol
Exact Mass391.14
IUPAC Name1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-2-one
SMILESO=C1CCCCN1CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H20F3NO3/c22-21(23,24)20(27)17-6-2-1-5-15(17)16-9-8-14(13-18(16)20)28-12-11-25-10-4-3-7-19(25)26/h1-2,5-6,8-9,13,27H,3-4,7,10-12H2
InChIKeyQXEJKQDFBHXRQR-UHFFFAOYSA-N
XLogP3.86
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Piperidin-1-yl-ethoxy)-9H-fluoren-9-ol
CID 44322589
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
2-[3-(Dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol
CID 59492528
3-[2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazolidin-2-one
CID 59492540
1-[2-[9-Hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
CID 59492553
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-2-one?
The IUPAC name of 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-2-one (CID 59492756) is 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-2-one is O=C1CCCCN1CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-2-one?
The InChIKey is QXEJKQDFBHXRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO3/c22-21(23,24)20(27)17-6-2-1-5-15(17)16-9-8-14(13-18(16)20)28-12-11-25-10-4-3-7-19(25)26/h1-2,5-6,8-9,13,27H,3-4,7,10-12H2.
What are the key properties of 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-2-one?
1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-2-one has a molecular weight of 391.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-2-one is sourced from PubChem (CID 59492756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).