[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

C23H25FO3 — CID 2445225

IUPAC[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESCc1cc(C)c(C(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c(C)c1
InChIInChI=1S/C23H25FO3/c1-15-11-16(2)21(17(3)12-15)20(25)14-27-22(26)23(9-4-5-10-23)18-7-6-8-19(24)13-18/h6-8,11-13H,4-5,9-10,14H2,1-3H3
InChIKeyVPPRSSGWFZEXBK-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.99
Rot. Bonds5

About [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 2445225) has the molecular formula C23H25FO3 and a molecular weight of 368.45 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID2445225
Molecular FormulaC23H25FO3
Molecular Weight368.45 g/mol
Exact Mass368.18
IUPAC Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESCc1cc(C)c(C(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c(C)c1
InChIInChI=1S/C23H25FO3/c1-15-11-16(2)21(17(3)12-15)20(25)14-27-22(26)23(9-4-5-10-23)18-7-6-8-19(24)13-18/h6-8,11-13H,4-5,9-10,14H2,1-3H3
InChIKeyVPPRSSGWFZEXBK-UHFFFAOYSA-N
XLogP4.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxy-2-oxopropyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 3976420
(2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526221
[2-(3-fluoroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2387321
[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 55314215
[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526188
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 55314295
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526166
[2-(2,6-dichloroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526239
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 42980138
dimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 16526186
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2097143
[2-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2099967

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate (CID 2445225) is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate is Cc1cc(C)c(C(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c(C)c1.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is VPPRSSGWFZEXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FO3/c1-15-11-16(2)21(17(3)12-15)20(25)14-27-22(26)23(9-4-5-10-23)18-7-6-8-19(24)13-18/h6-8,11-13H,4-5,9-10,14H2,1-3H3.
What are the key properties of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 368.45 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2445225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).