2-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one

C9H13F3O2 — CID 66366594

IUPAC2-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
SMILESCCC1(C)C(=O)CC1OCC(F)(F)F
InChIInChI=1S/C9H13F3O2/c1-3-8(2)6(13)4-7(8)14-5-9(10,11)12/h7H,3-5H2,1-2H3
InChIKeyACINWZRVHCWPEN-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.32
Rot. Bonds3

About 2-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one

2-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one (PubChem CID 66366594) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
PubChem CID66366594
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name2-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
SMILESCCC1(C)C(=O)CC1OCC(F)(F)F
InChIInChI=1S/C9H13F3O2/c1-3-8(2)6(13)4-7(8)14-5-9(10,11)12/h7H,3-5H2,1-2H3
InChIKeyACINWZRVHCWPEN-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one?
The IUPAC name of 2-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one (CID 66366594) is 2-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one.
What is the SMILES notation for 2-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one?
The canonical SMILES for 2-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one is CCC1(C)C(=O)CC1OCC(F)(F)F.
What is the InChIKey of 2-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one?
The InChIKey is ACINWZRVHCWPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-3-8(2)6(13)4-7(8)14-5-9(10,11)12/h7H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one?
2-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one has a molecular weight of 210.19 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one is sourced from PubChem (CID 66366594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).