methyl 2-[(1R,2R)-3-oxo-2-[(Z)-5,5,5-trifluoropent-2-enyl]cyclopentyl]acetate

C13H17F3O3 — CID 10707708

IUPACmethyl 2-[(1R,2R)-3-oxo-2-[(Z)-5,5,5-trifluoropent-2-enyl]cyclopentyl]acetate
SMILESCOC(=O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CC(F)(F)F
InChIInChI=1S/C13H17F3O3/c1-19-12(18)8-9-5-6-11(17)10(9)4-2-3-7-13(14,15)16/h2-3,9-10H,4-8H2,1H3/b3-2-/t9-,10-/m1/s1
InChIKeyGIOZXVAPAPEYAI-JAFKPYBISA-N
MW278.27 g/mol
LogP3.04
Rot. Bonds5

About methyl 2-[(1R,2R)-3-oxo-2-[(Z)-5,5,5-trifluoropent-2-enyl]cyclopentyl]acetate

methyl 2-[(1R,2R)-3-oxo-2-[(Z)-5,5,5-trifluoropent-2-enyl]cyclopentyl]acetate (PubChem CID 10707708) has the molecular formula C13H17F3O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is methyl 2-[(1R,2R)-3-oxo-2-[(Z)-5,5,5-trifluoropent-2-enyl]cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,2R)-3-oxo-2-[(Z)-5,5,5-trifluoropent-2-enyl]cyclopentyl]acetate
PubChem CID10707708
Molecular FormulaC13H17F3O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Namemethyl 2-[(1R,2R)-3-oxo-2-[(Z)-5,5,5-trifluoropent-2-enyl]cyclopentyl]acetate
SMILESCOC(=O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CC(F)(F)F
InChIInChI=1S/C13H17F3O3/c1-19-12(18)8-9-5-6-11(17)10(9)4-2-3-7-13(14,15)16/h2-3,9-10H,4-8H2,1H3/b3-2-/t9-,10-/m1/s1
InChIKeyGIOZXVAPAPEYAI-JAFKPYBISA-N
XLogP3.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 2-[(1R,2R)-3-oxo-2-[(Z)-5,5,5-trifluoropent-2-enyl]cyclopentyl]acetate 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

methyl 2-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S,2R)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
CID 157434291
methyl 2-[(1S)-3-oxo-2-pent-2-enylcyclopentyl]acetate
CID 91500588
methyl 2-[2-(2,3-dibromopentyl)-3-oxocyclopentyl]acetate;methyl 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 158002521
methyl 2-[3-oxo-2-[(Z)-pent-3-enyl]cyclopentyl]acetate
CID 172720888
[2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate
CID 73407000
methyl 2-[(1S,2S)-2-butyl-3-oxocyclopentyl]acetate
CID 154944016
methyl 2-[3-oxo-2-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetate
CID 73100171
2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid
CID 7067458
2-[(1R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
CID 25245751
2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
CID 174803900
2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;hydrochloride
CID 175288857
2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
CID 5365335

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,2R)-3-oxo-2-[(Z)-5,5,5-trifluoropent-2-enyl]cyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R,2R)-3-oxo-2-[(Z)-5,5,5-trifluoropent-2-enyl]cyclopentyl]acetate (CID 10707708) is methyl 2-[(1R,2R)-3-oxo-2-[(Z)-5,5,5-trifluoropent-2-enyl]cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R,2R)-3-oxo-2-[(Z)-5,5,5-trifluoropent-2-enyl]cyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R,2R)-3-oxo-2-[(Z)-5,5,5-trifluoropent-2-enyl]cyclopentyl]acetate is COC(=O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CC(F)(F)F.
What is the InChIKey of methyl 2-[(1R,2R)-3-oxo-2-[(Z)-5,5,5-trifluoropent-2-enyl]cyclopentyl]acetate?
The InChIKey is GIOZXVAPAPEYAI-JAFKPYBISA-N. The full InChI is InChI=1S/C13H17F3O3/c1-19-12(18)8-9-5-6-11(17)10(9)4-2-3-7-13(14,15)16/h2-3,9-10H,4-8H2,1H3/b3-2-/t9-,10-/m1/s1.
What are the key properties of methyl 2-[(1R,2R)-3-oxo-2-[(Z)-5,5,5-trifluoropent-2-enyl]cyclopentyl]acetate?
methyl 2-[(1R,2R)-3-oxo-2-[(Z)-5,5,5-trifluoropent-2-enyl]cyclopentyl]acetate has a molecular weight of 278.27 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,2R)-3-oxo-2-[(Z)-5,5,5-trifluoropent-2-enyl]cyclopentyl]acetate is sourced from PubChem (CID 10707708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).