dimethyl (1R)-1-(2-fluoroethyl)-1,3-dihydroindene-2,2-dicarboxylate

C15H17FO4 — CID 166447991

IUPACdimethyl (1R)-1-(2-fluoroethyl)-1,3-dihydroindene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2ccccc2[C@H]1CCF
InChIInChI=1S/C15H17FO4/c1-19-13(17)15(14(18)20-2)9-10-5-3-4-6-11(10)12(15)7-8-16/h3-6,12H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyQWSOCZAXMCOOQN-GFCCVEGCSA-N
MW280.30 g/mol
LogP2.02
Rot. Bonds4

About dimethyl (1R)-1-(2-fluoroethyl)-1,3-dihydroindene-2,2-dicarboxylate

dimethyl (1R)-1-(2-fluoroethyl)-1,3-dihydroindene-2,2-dicarboxylate (PubChem CID 166447991) has the molecular formula C15H17FO4 and a molecular weight of 280.30 g/mol. Its IUPAC name is dimethyl (1R)-1-(2-fluoroethyl)-1,3-dihydroindene-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R)-1-(2-fluoroethyl)-1,3-dihydroindene-2,2-dicarboxylate
PubChem CID166447991
Molecular FormulaC15H17FO4
Molecular Weight280.30 g/mol
Exact Mass280.11
IUPAC Namedimethyl (1R)-1-(2-fluoroethyl)-1,3-dihydroindene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2ccccc2[C@H]1CCF
InChIInChI=1S/C15H17FO4/c1-19-13(17)15(14(18)20-2)9-10-5-3-4-6-11(10)12(15)7-8-16/h3-6,12H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyQWSOCZAXMCOOQN-GFCCVEGCSA-N
XLogP2.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dimethyl (1R)-1-(2-fluoroethyl)-1,3-dihydroindene-2,2-dicarboxylate 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

Diethyl 2-phenylcyclopropane-1,1-dicarboxylate
CID 258820
9,9-Fluorenedipropionic acid, diethyl ester
CID 33767
1,3-Dihydroindene-2,2-dicarboxylic acid
CID 251957
Methyl 2,3-dihydro-1H-indene-1-carboxylate
CID 3839612
Methyl 2-oxo-1-indanecarboxylate
CID 10888732
methyl 1-methyl-2,3-dihydro-1H-indene-2-carboxylate
CID 14381314
methyl (1S,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylate
CID 24982300
methyl (1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylate
CID 24982154
1-Oxo-2-(trifluoromethyl)indan-2-carboxylic acid methyl ester
CID 10868955
Dimethyl 2-(4-fluorophenyl)cyclopropane-1,1-dicarboxylate
CID 24808645
ethyl 3-oxo-2-(trifluoromethyl)-1H-indene-2-carboxylate
CID 69670740
Methyl 1-oxo-2,3-dihydro-1H-indene-2-carboxylate
CID 312866

Frequently Asked Questions

What is the IUPAC name of dimethyl (1R)-1-(2-fluoroethyl)-1,3-dihydroindene-2,2-dicarboxylate?
The IUPAC name of dimethyl (1R)-1-(2-fluoroethyl)-1,3-dihydroindene-2,2-dicarboxylate (CID 166447991) is dimethyl (1R)-1-(2-fluoroethyl)-1,3-dihydroindene-2,2-dicarboxylate.
What is the SMILES notation for dimethyl (1R)-1-(2-fluoroethyl)-1,3-dihydroindene-2,2-dicarboxylate?
The canonical SMILES for dimethyl (1R)-1-(2-fluoroethyl)-1,3-dihydroindene-2,2-dicarboxylate is COC(=O)C1(C(=O)OC)Cc2ccccc2[C@H]1CCF.
What is the InChIKey of dimethyl (1R)-1-(2-fluoroethyl)-1,3-dihydroindene-2,2-dicarboxylate?
The InChIKey is QWSOCZAXMCOOQN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17FO4/c1-19-13(17)15(14(18)20-2)9-10-5-3-4-6-11(10)12(15)7-8-16/h3-6,12H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of dimethyl (1R)-1-(2-fluoroethyl)-1,3-dihydroindene-2,2-dicarboxylate?
dimethyl (1R)-1-(2-fluoroethyl)-1,3-dihydroindene-2,2-dicarboxylate has a molecular weight of 280.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R)-1-(2-fluoroethyl)-1,3-dihydroindene-2,2-dicarboxylate is sourced from PubChem (CID 166447991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).