methyl 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate

C22H15F3O3 — CID 59492577

IUPACmethyl 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate
SMILESCOC(=O)c1cccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)c1
InChIInChI=1S/C22H15F3O3/c1-28-20(26)15-6-4-5-13(11-15)14-9-10-17-16-7-2-3-8-18(16)21(27,19(17)12-14)22(23,24)25/h2-12,27H,1H3
InChIKeyGBASGCAUKWJZND-UHFFFAOYSA-N
MW384.35 g/mol
LogP4.92
Rot. Bonds2

About methyl 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate

methyl 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate (PubChem CID 59492577) has the molecular formula C22H15F3O3 and a molecular weight of 384.35 g/mol. Its IUPAC name is methyl 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate
PubChem CID59492577
Molecular FormulaC22H15F3O3
Molecular Weight384.35 g/mol
Exact Mass384.10
IUPAC Namemethyl 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate
SMILESCOC(=O)c1cccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)c1
InChIInChI=1S/C22H15F3O3/c1-28-20(26)15-6-4-5-13(11-15)14-9-10-17-16-7-2-3-8-18(16)21(27,19(17)12-14)22(23,24)25/h2-12,27H,1H3
InChIKeyGBASGCAUKWJZND-UHFFFAOYSA-N
XLogP4.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate?
The IUPAC name of methyl 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate (CID 59492577) is methyl 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate.
What is the SMILES notation for methyl 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate?
The canonical SMILES for methyl 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate is COC(=O)c1cccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)c1.
What is the InChIKey of methyl 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate?
The InChIKey is GBASGCAUKWJZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3O3/c1-28-20(26)15-6-4-5-13(11-15)14-9-10-17-16-7-2-3-8-18(16)21(27,19(17)12-14)22(23,24)25/h2-12,27H,1H3.
What are the key properties of methyl 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate?
methyl 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate has a molecular weight of 384.35 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoate is sourced from PubChem (CID 59492577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).