methyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate

C15H15FO3 — CID 101474558

IUPACmethyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate
SMILESC=C1CCC[C@]1(C(=O)OC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15FO3/c1-10-4-3-9-15(10,14(18)19-2)13(17)11-5-7-12(16)8-6-11/h5-8H,1,3-4,9H2,2H3/t15-/m1/s1
InChIKeyVJCCKNLRRBRFMO-OAHLLOKOSA-N
MW262.28 g/mol
LogP2.91
Rot. Bonds3

About methyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate

methyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate (PubChem CID 101474558) has the molecular formula C15H15FO3 and a molecular weight of 262.28 g/mol. Its IUPAC name is methyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate
PubChem CID101474558
Molecular FormulaC15H15FO3
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Namemethyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate
SMILESC=C1CCC[C@]1(C(=O)OC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15FO3/c1-10-4-3-9-15(10,14(18)19-2)13(17)11-5-7-12(16)8-6-11/h5-8H,1,3-4,9H2,2H3/t15-/m1/s1
InChIKeyVJCCKNLRRBRFMO-OAHLLOKOSA-N
XLogP2.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate?
The IUPAC name of methyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate (CID 101474558) is methyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate is C=C1CCC[C@]1(C(=O)OC)C(=O)c1ccc(F)cc1.
What is the InChIKey of methyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate?
The InChIKey is VJCCKNLRRBRFMO-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15FO3/c1-10-4-3-9-15(10,14(18)19-2)13(17)11-5-7-12(16)8-6-11/h5-8H,1,3-4,9H2,2H3/t15-/m1/s1.
What are the key properties of methyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate?
methyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate has a molecular weight of 262.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 101474558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).