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

C8H11F3O2 — CID 66366799

IUPAC2,2-dimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
SMILESCC1(C)C(=O)CC1OCC(F)(F)F
InChIInChI=1S/C8H11F3O2/c1-7(2)5(12)3-6(7)13-4-8(9,10)11/h6H,3-4H2,1-2H3
InChIKeySEVMKOFKRZIBEL-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.93
Rot. Bonds2

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

2,2-dimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one (PubChem CID 66366799) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
PubChem CID66366799
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name2,2-dimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
SMILESCC1(C)C(=O)CC1OCC(F)(F)F
InChIInChI=1S/C8H11F3O2/c1-7(2)5(12)3-6(7)13-4-8(9,10)11/h6H,3-4H2,1-2H3
InChIKeySEVMKOFKRZIBEL-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one?
The IUPAC name of 2,2-dimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one (CID 66366799) is 2,2-dimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one.
What is the SMILES notation for 2,2-dimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one?
The canonical SMILES for 2,2-dimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one is CC1(C)C(=O)CC1OCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one?
The InChIKey is SEVMKOFKRZIBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c1-7(2)5(12)3-6(7)13-4-8(9,10)11/h6H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one?
2,2-dimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one has a molecular weight of 196.17 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one is sourced from PubChem (CID 66366799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).