methyl 7,9,9-trifluorofluorene-3-carboxylate

C15H9F3O2 — CID 170296669

IUPACmethyl 7,9,9-trifluorofluorene-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)-c1ccc(F)cc1C2(F)F
InChIInChI=1S/C15H9F3O2/c1-20-14(19)8-2-5-12-11(6-8)10-4-3-9(16)7-13(10)15(12,17)18/h2-7H,1H3
InChIKeyAOAMHTLFGIDPBJ-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.73
Rot. Bonds1

About methyl 7,9,9-trifluorofluorene-3-carboxylate

methyl 7,9,9-trifluorofluorene-3-carboxylate (PubChem CID 170296669) has the molecular formula C15H9F3O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is methyl 7,9,9-trifluorofluorene-3-carboxylate.

Molecular Properties

Compound Namemethyl 7,9,9-trifluorofluorene-3-carboxylate
PubChem CID170296669
Molecular FormulaC15H9F3O2
Molecular Weight278.23 g/mol
Exact Mass278.06
IUPAC Namemethyl 7,9,9-trifluorofluorene-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)-c1ccc(F)cc1C2(F)F
InChIInChI=1S/C15H9F3O2/c1-20-14(19)8-2-5-12-11(6-8)10-4-3-9(16)7-13(10)15(12,17)18/h2-7H,1H3
InChIKeyAOAMHTLFGIDPBJ-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 7,9,9-trifluorofluorene-3-carboxylate 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

methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate
CID 59492606
methyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate
CID 169198050
CID 170307924
CID 170307924
methyl 8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate
CID 58406959
methyl 3-fluorobenzoate
CID 521184
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate
CID 634796
methyl 3-fluoro-4-(3,4,5-trifluorophenyl)benzoate
CID 151858765
methyl 2-amino-9,9-difluorofluorene-3-carboxylate
CID 164562157
methyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate
CID 90209622
4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
CID 53218416
methyl 4-[1-(aminomethyl)cyclopropyl]-3-fluorobenzoate
CID 117319477

Frequently Asked Questions

What is the IUPAC name of methyl 7,9,9-trifluorofluorene-3-carboxylate?
The IUPAC name of methyl 7,9,9-trifluorofluorene-3-carboxylate (CID 170296669) is methyl 7,9,9-trifluorofluorene-3-carboxylate.
What is the SMILES notation for methyl 7,9,9-trifluorofluorene-3-carboxylate?
The canonical SMILES for methyl 7,9,9-trifluorofluorene-3-carboxylate is COC(=O)c1ccc2c(c1)-c1ccc(F)cc1C2(F)F.
What is the InChIKey of methyl 7,9,9-trifluorofluorene-3-carboxylate?
The InChIKey is AOAMHTLFGIDPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3O2/c1-20-14(19)8-2-5-12-11(6-8)10-4-3-9(16)7-13(10)15(12,17)18/h2-7H,1H3.
What are the key properties of methyl 7,9,9-trifluorofluorene-3-carboxylate?
methyl 7,9,9-trifluorofluorene-3-carboxylate has a molecular weight of 278.23 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7,9,9-trifluorofluorene-3-carboxylate is sourced from PubChem (CID 170296669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).