propan-2-yl 2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate

C15H17FO3 — CID 135070176

IUPACpropan-2-yl 2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate
SMILESCC(C)OC(=O)C1CCC(=O)C1c1ccc(F)cc1
InChIInChI=1S/C15H17FO3/c1-9(2)19-15(18)12-7-8-13(17)14(12)10-3-5-11(16)6-4-10/h3-6,9,12,14H,7-8H2,1-2H3
InChIKeyFLDLZNQVXOIWNX-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.84
Rot. Bonds3

About propan-2-yl 2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate

propan-2-yl 2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate (PubChem CID 135070176) has the molecular formula C15H17FO3 and a molecular weight of 264.30 g/mol. Its IUPAC name is propan-2-yl 2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate
PubChem CID135070176
Molecular FormulaC15H17FO3
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Namepropan-2-yl 2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate
SMILESCC(C)OC(=O)C1CCC(=O)C1c1ccc(F)cc1
InChIInChI=1S/C15H17FO3/c1-9(2)19-15(18)12-7-8-13(17)14(12)10-3-5-11(16)6-4-10/h3-6,9,12,14H,7-8H2,1-2H3
InChIKeyFLDLZNQVXOIWNX-UHFFFAOYSA-N
XLogP2.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Butyric acid, 2-phenyl-, isopropyl ester
CID 10798333
Hydratropic acid, isopropyl ester
CID 10965354
Methyl 2-[3-oxo-2-(2-phenylpropylidene)cyclopentyl]acetate
CID 145980537
Ethyl 4-oxo-5-phenylpentanoate
CID 568213
Ethyl 4-oxo-2-phenylpentanoate
CID 238514
Ethyl 4-(2,6-difluorophenyl)-2-methyl-3-oxopentanoate
CID 10890932
cis-methyl (1R,2R)-2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate
CID 12033610
Ethyl 2-(4-fluorophenyl)propanoate
CID 12343286
Methyl 3-(4-fluorophenyl)-2-(1-oxoethyl)-5-oxohexanoate
CID 14460132
Methyl 2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate
CID 18404447
Ethyl 2-(4-fluorophenyl)-3-oxobutanoate
CID 69173354
propan-2-yl (2R)-2-phenylpropanoate
CID 90274430

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate?
The IUPAC name of propan-2-yl 2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate (CID 135070176) is propan-2-yl 2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate.
What is the SMILES notation for propan-2-yl 2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate?
The canonical SMILES for propan-2-yl 2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate is CC(C)OC(=O)C1CCC(=O)C1c1ccc(F)cc1.
What is the InChIKey of propan-2-yl 2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate?
The InChIKey is FLDLZNQVXOIWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO3/c1-9(2)19-15(18)12-7-8-13(17)14(12)10-3-5-11(16)6-4-10/h3-6,9,12,14H,7-8H2,1-2H3.
What are the key properties of propan-2-yl 2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate?
propan-2-yl 2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate has a molecular weight of 264.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-fluorophenyl)-3-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 135070176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).