3-(2,2,2-trifluoroethoxy)cyclopentan-1-one

C7H9F3O2 — CID 79642617

IUPAC3-(2,2,2-trifluoroethoxy)cyclopentan-1-one
SMILESO=C1CCC(OCC(F)(F)F)C1
InChIInChI=1S/C7H9F3O2/c8-7(9,10)4-12-6-2-1-5(11)3-6/h6H,1-4H2
InChIKeyJYAITEVYWUHAKN-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.69
Rot. Bonds2

About 3-(2,2,2-trifluoroethoxy)cyclopentan-1-one

3-(2,2,2-trifluoroethoxy)cyclopentan-1-one (PubChem CID 79642617) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)cyclopentan-1-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)cyclopentan-1-one
PubChem CID79642617
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name3-(2,2,2-trifluoroethoxy)cyclopentan-1-one
SMILESO=C1CCC(OCC(F)(F)F)C1
InChIInChI=1S/C7H9F3O2/c8-7(9,10)4-12-6-2-1-5(11)3-6/h6H,1-4H2
InChIKeyJYAITEVYWUHAKN-UHFFFAOYSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,2,2-trifluoroethoxy)cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)cyclopentan-1-one?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)cyclopentan-1-one (CID 79642617) is 3-(2,2,2-trifluoroethoxy)cyclopentan-1-one.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)cyclopentan-1-one?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)cyclopentan-1-one is O=C1CCC(OCC(F)(F)F)C1.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)cyclopentan-1-one?
The InChIKey is JYAITEVYWUHAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2/c8-7(9,10)4-12-6-2-1-5(11)3-6/h6H,1-4H2.
What are the key properties of 3-(2,2,2-trifluoroethoxy)cyclopentan-1-one?
3-(2,2,2-trifluoroethoxy)cyclopentan-1-one has a molecular weight of 182.14 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)cyclopentan-1-one is sourced from PubChem (CID 79642617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).