dimethyl 9-hydroxy-9-(trifluoromethyl)fluorene-2,4-dicarboxylate

C18H13F3O5 — CID 59493193

IUPACdimethyl 9-hydroxy-9-(trifluoromethyl)fluorene-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C18H13F3O5/c1-25-15(22)9-7-11(16(23)26-2)14-10-5-3-4-6-12(10)17(24,13(14)8-9)18(19,20)21/h3-8,24H,1-2H3
InChIKeyIBJLANFIRCABPH-UHFFFAOYSA-N
MW366.29 g/mol
LogP3.04
Rot. Bonds2

About dimethyl 9-hydroxy-9-(trifluoromethyl)fluorene-2,4-dicarboxylate

dimethyl 9-hydroxy-9-(trifluoromethyl)fluorene-2,4-dicarboxylate (PubChem CID 59493193) has the molecular formula C18H13F3O5 and a molecular weight of 366.29 g/mol. Its IUPAC name is dimethyl 9-hydroxy-9-(trifluoromethyl)fluorene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 9-hydroxy-9-(trifluoromethyl)fluorene-2,4-dicarboxylate
PubChem CID59493193
Molecular FormulaC18H13F3O5
Molecular Weight366.29 g/mol
Exact Mass366.07
IUPAC Namedimethyl 9-hydroxy-9-(trifluoromethyl)fluorene-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C18H13F3O5/c1-25-15(22)9-7-11(16(23)26-2)14-10-5-3-4-6-12(10)17(24,13(14)8-9)18(19,20)21/h3-8,24H,1-2H3
InChIKeyIBJLANFIRCABPH-UHFFFAOYSA-N
XLogP3.04
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze dimethyl 9-hydroxy-9-(trifluoromethyl)fluorene-2,4-dicarboxylate 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 dimethyl 9-hydroxy-9-(trifluoromethyl)fluorene-2,4-dicarboxylate?
The IUPAC name of dimethyl 9-hydroxy-9-(trifluoromethyl)fluorene-2,4-dicarboxylate (CID 59493193) is dimethyl 9-hydroxy-9-(trifluoromethyl)fluorene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 9-hydroxy-9-(trifluoromethyl)fluorene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 9-hydroxy-9-(trifluoromethyl)fluorene-2,4-dicarboxylate is COC(=O)c1cc(C(=O)OC)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of dimethyl 9-hydroxy-9-(trifluoromethyl)fluorene-2,4-dicarboxylate?
The InChIKey is IBJLANFIRCABPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3O5/c1-25-15(22)9-7-11(16(23)26-2)14-10-5-3-4-6-12(10)17(24,13(14)8-9)18(19,20)21/h3-8,24H,1-2H3.
What are the key properties of dimethyl 9-hydroxy-9-(trifluoromethyl)fluorene-2,4-dicarboxylate?
dimethyl 9-hydroxy-9-(trifluoromethyl)fluorene-2,4-dicarboxylate has a molecular weight of 366.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 9-hydroxy-9-(trifluoromethyl)fluorene-2,4-dicarboxylate is sourced from PubChem (CID 59493193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).