1-(azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone

C19H16F3NO3 — CID 59492759

IUPAC1-(azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone
SMILESO=C(COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)18(25)15-5-2-1-4-13(15)14-7-6-12(10-16(14)18)26-11-17(24)23-8-3-9-23/h1-2,4-7,10,25H,3,8-9,11H2
InChIKeyGPUGGRPTSUSZPB-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.08
Rot. Bonds3

About 1-(azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone

1-(azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone (PubChem CID 59492759) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone
PubChem CID59492759
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name1-(azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone
SMILESO=C(COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)18(25)15-5-2-1-4-13(15)14-7-6-12(10-16(14)18)26-11-17(24)23-8-3-9-23/h1-2,4-7,10,25H,3,8-9,11H2
InChIKeyGPUGGRPTSUSZPB-UHFFFAOYSA-N
XLogP3.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
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
2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
CID 59492583
5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide
CID 59492588
tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]carbamate
CID 59492591
1-[4-(Hydroxymethyl)piperidin-1-yl]-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone
CID 59492596

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone (CID 59492759) is 1-(azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone is O=C(COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone?
The InChIKey is GPUGGRPTSUSZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c20-19(21,22)18(25)15-5-2-1-4-13(15)14-7-6-12(10-16(14)18)26-11-17(24)23-8-3-9-23/h1-2,4-7,10,25H,3,8-9,11H2.
What are the key properties of 1-(azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone?
1-(azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone has a molecular weight of 363.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone is sourced from PubChem (CID 59492759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).