2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one

C9H13F3O3 — CID 107942238

IUPAC2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
SMILESCCCOC1C(=O)CC1OCC(F)(F)F
InChIInChI=1S/C9H13F3O3/c1-2-3-14-8-6(13)4-7(8)15-5-9(10,11)12/h7-8H,2-5H2,1H3
InChIKeyIMRSHHRWENWPLH-UHFFFAOYSA-N
MW226.19 g/mol
LogP1.70
Rot. Bonds5

About 2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one

2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one (PubChem CID 107942238) has the molecular formula C9H13F3O3 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one.

Molecular Properties

Compound Name2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
PubChem CID107942238
Molecular FormulaC9H13F3O3
Molecular Weight226.19 g/mol
Exact Mass226.08
IUPAC Name2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
SMILESCCCOC1C(=O)CC1OCC(F)(F)F
InChIInChI=1S/C9H13F3O3/c1-2-3-14-8-6(13)4-7(8)15-5-9(10,11)12/h7-8H,2-5H2,1H3
InChIKeyIMRSHHRWENWPLH-UHFFFAOYSA-N
XLogP1.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-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

Related Compounds

3-heptoxy-2-propoxycyclobutan-1-one
CID 107942270
3-(4-methylphenoxy)-2-propoxycyclobutan-1-one
CID 107942231
2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one
CID 107942317
3-(3,4-dimethylcyclohexyl)oxy-2-propoxycyclobutan-1-one
CID 114018828
2-ethoxy-3-pentoxycyclobutan-1-one
CID 104675164
3-(2-fluoro-3-methylphenoxy)-2-propoxycyclobutan-1-one
CID 107942425
3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one
CID 114032115
3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one
CID 107942380
3-(3-bromophenoxy)-2-propoxycyclobutan-1-one
CID 107942210
2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 113439863
3-(2,3-dihydro-1H-inden-5-yloxy)-2-propoxycyclobutan-1-one
CID 114018813
3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one
CID 114018819

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one?
The IUPAC name of 2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one (CID 107942238) is 2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one.
What is the SMILES notation for 2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one?
The canonical SMILES for 2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one is CCCOC1C(=O)CC1OCC(F)(F)F.
What is the InChIKey of 2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one?
The InChIKey is IMRSHHRWENWPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O3/c1-2-3-14-8-6(13)4-7(8)15-5-9(10,11)12/h7-8H,2-5H2,1H3.
What are the key properties of 2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one?
2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one has a molecular weight of 226.19 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one is sourced from PubChem (CID 107942238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).