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

C10H15F3O2 — CID 66366595

IUPAC2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1OCC(F)(F)F
InChIInChI=1S/C10H15F3O2/c1-3-9(4-2)7(14)5-8(9)15-6-10(11,12)13/h8H,3-6H2,1-2H3
InChIKeyBHDLBGFMKFTDCG-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.71
Rot. Bonds4

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

2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one (PubChem CID 66366595) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one.

Molecular Properties

Compound Name2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
PubChem CID66366595
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1OCC(F)(F)F
InChIInChI=1S/C10H15F3O2/c1-3-9(4-2)7(14)5-8(9)15-6-10(11,12)13/h8H,3-6H2,1-2H3
InChIKeyBHDLBGFMKFTDCG-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one?
The IUPAC name of 2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one (CID 66366595) is 2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one.
What is the SMILES notation for 2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one?
The canonical SMILES for 2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one is CCC1(CC)C(=O)CC1OCC(F)(F)F.
What is the InChIKey of 2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one?
The InChIKey is BHDLBGFMKFTDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c1-3-9(4-2)7(14)5-8(9)15-6-10(11,12)13/h8H,3-6H2,1-2H3.
What are the key properties of 2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one?
2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one has a molecular weight of 224.22 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one is sourced from PubChem (CID 66366595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).