2,2-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one

C11H17F3O2 — CID 66367273

IUPAC2,2-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1OC(C)C(F)(F)F
InChIInChI=1S/C11H17F3O2/c1-4-10(5-2)8(15)6-9(10)16-7(3)11(12,13)14/h7,9H,4-6H2,1-3H3
InChIKeyGUOHBBORSWZCSL-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.10
Rot. Bonds4

About 2,2-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one

2,2-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one (PubChem CID 66367273) has the molecular formula C11H17F3O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2,2-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one.

Molecular Properties

Compound Name2,2-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one
PubChem CID66367273
Molecular FormulaC11H17F3O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name2,2-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1OC(C)C(F)(F)F
InChIInChI=1S/C11H17F3O2/c1-4-10(5-2)8(15)6-9(10)16-7(3)11(12,13)14/h7,9H,4-6H2,1-3H3
InChIKeyGUOHBBORSWZCSL-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.10
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-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one?
The IUPAC name of 2,2-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one (CID 66367273) is 2,2-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one.
What is the SMILES notation for 2,2-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one?
The canonical SMILES for 2,2-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one is CCC1(CC)C(=O)CC1OC(C)C(F)(F)F.
What is the InChIKey of 2,2-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one?
The InChIKey is GUOHBBORSWZCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O2/c1-4-10(5-2)8(15)6-9(10)16-7(3)11(12,13)14/h7,9H,4-6H2,1-3H3.
What are the key properties of 2,2-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one?
2,2-diethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one has a molecular weight of 238.25 g/mol, XLogP of 3.10, 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-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one is sourced from PubChem (CID 66367273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).