dimethyl (4R)-4-(2-fluorophenyl)cyclopent-2-ene-1,1-dicarboxylate

C15H15FO4 — CID 154715551

IUPACdimethyl (4R)-4-(2-fluorophenyl)cyclopent-2-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C=C[C@H](c2ccccc2F)C1
InChIInChI=1S/C15H15FO4/c1-19-13(17)15(14(18)20-2)8-7-10(9-15)11-5-3-4-6-12(11)16/h3-8,10H,9H2,1-2H3/t10-/m0/s1
InChIKeyHKSNOCRNTAOLIJ-JTQLQIEISA-N
MW278.28 g/mol
LogP2.20
Rot. Bonds3

About dimethyl (4R)-4-(2-fluorophenyl)cyclopent-2-ene-1,1-dicarboxylate

dimethyl (4R)-4-(2-fluorophenyl)cyclopent-2-ene-1,1-dicarboxylate (PubChem CID 154715551) has the molecular formula C15H15FO4 and a molecular weight of 278.28 g/mol. Its IUPAC name is dimethyl (4R)-4-(2-fluorophenyl)cyclopent-2-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4R)-4-(2-fluorophenyl)cyclopent-2-ene-1,1-dicarboxylate
PubChem CID154715551
Molecular FormulaC15H15FO4
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC Namedimethyl (4R)-4-(2-fluorophenyl)cyclopent-2-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C=C[C@H](c2ccccc2F)C1
InChIInChI=1S/C15H15FO4/c1-19-13(17)15(14(18)20-2)8-7-10(9-15)11-5-3-4-6-12(11)16/h3-8,10H,9H2,1-2H3/t10-/m0/s1
InChIKeyHKSNOCRNTAOLIJ-JTQLQIEISA-N
XLogP2.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 2-phenylcyclopropane-1,1-dicarboxylate
CID 258820
Diethyl 2-benzylpropanedioate
CID 69090
Diethyl phenylmalonate
CID 66514
Benzeneacetic acid, alpha-formyl-, methyl ester
CID 110729
Propanedioic acid, 2-methyl-2-phenyl-, 1,3-diethyl ester
CID 98549
Diethyl 2-fluoro-2-phenylmalonate
CID 4246642
Diethyl ethylphenylmalonate
CID 66450
3-Ethoxy-3-oxo-2-phenylpropanoic acid
CID 2729903
Methyl 1-phenylcyclopentane-1-carboxylate
CID 11790325
Mapa
CID 13096216
Ethylphenylmalonic acid
CID 74220
ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate
CID 3011497

Frequently Asked Questions

What is the IUPAC name of dimethyl (4R)-4-(2-fluorophenyl)cyclopent-2-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl (4R)-4-(2-fluorophenyl)cyclopent-2-ene-1,1-dicarboxylate (CID 154715551) is dimethyl (4R)-4-(2-fluorophenyl)cyclopent-2-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (4R)-4-(2-fluorophenyl)cyclopent-2-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl (4R)-4-(2-fluorophenyl)cyclopent-2-ene-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)C=C[C@H](c2ccccc2F)C1.
What is the InChIKey of dimethyl (4R)-4-(2-fluorophenyl)cyclopent-2-ene-1,1-dicarboxylate?
The InChIKey is HKSNOCRNTAOLIJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15FO4/c1-19-13(17)15(14(18)20-2)8-7-10(9-15)11-5-3-4-6-12(11)16/h3-8,10H,9H2,1-2H3/t10-/m0/s1.
What are the key properties of dimethyl (4R)-4-(2-fluorophenyl)cyclopent-2-ene-1,1-dicarboxylate?
dimethyl (4R)-4-(2-fluorophenyl)cyclopent-2-ene-1,1-dicarboxylate has a molecular weight of 278.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4R)-4-(2-fluorophenyl)cyclopent-2-ene-1,1-dicarboxylate is sourced from PubChem (CID 154715551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).