[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate

C23H15F3O3 — CID 7859801

IUPAC[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C23H15F3O3/c24-23(25,26)20-8-4-3-7-18(20)22(28)29-13-21(27)16-10-9-15-11-14-5-1-2-6-17(14)19(15)12-16/h1-10,12H,11,13H2
InChIKeyHWFDVICFOCBAGY-UHFFFAOYSA-N
MW396.36 g/mol
LogP5.32
Rot. Bonds4

About [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate

[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate (PubChem CID 7859801) has the molecular formula C23H15F3O3 and a molecular weight of 396.36 g/mol. Its IUPAC name is [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate
PubChem CID7859801
Molecular FormulaC23H15F3O3
Molecular Weight396.36 g/mol
Exact Mass396.10
IUPAC Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C23H15F3O3/c24-23(25,26)20-8-4-3-7-18(20)22(28)29-13-21(27)16-10-9-15-11-14-5-1-2-6-17(14)19(15)12-16/h1-10,12H,11,13H2
InChIKeyHWFDVICFOCBAGY-UHFFFAOYSA-N
XLogP5.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.36
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 7825922
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2445435
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7502110
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723570
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523919
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 7233811
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-bromobenzoate
CID 7662912
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489133
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate
CID 29183065
1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 39040310
[2-(9H-fluoren-3-yl)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 7779040
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855454

Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate?
The IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate (CID 7859801) is [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate.
What is the SMILES notation for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate?
The canonical SMILES for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate is O=C(COC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate?
The InChIKey is HWFDVICFOCBAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3O3/c24-23(25,26)20-8-4-3-7-18(20)22(28)29-13-21(27)16-10-9-15-11-14-5-1-2-6-17(14)19(15)12-16/h1-10,12H,11,13H2.
What are the key properties of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate?
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate has a molecular weight of 396.36 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate is sourced from PubChem (CID 7859801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).