3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one

C8H8F6O2 — CID 86206503

IUPAC3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one
SMILESCCOC1CC(=O)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6O2/c1-2-16-5-3-4(15)6(5,7(9,10)11)8(12,13)14/h5H,2-3H2,1H3
InChIKeyOYVGSUMIKWDJGD-UHFFFAOYSA-N
MW250.14 g/mol
LogP2.48
Rot. Bonds2

About 3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one

3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one (PubChem CID 86206503) has the molecular formula C8H8F6O2 and a molecular weight of 250.14 g/mol. Its IUPAC name is 3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one.

Molecular Properties

Compound Name3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one
PubChem CID86206503
Molecular FormulaC8H8F6O2
Molecular Weight250.14 g/mol
Exact Mass250.04
IUPAC Name3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one
SMILESCCOC1CC(=O)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6O2/c1-2-16-5-3-4(15)6(5,7(9,10)11)8(12,13)14/h5H,2-3H2,1H3
InChIKeyOYVGSUMIKWDJGD-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-3-(propan-2-yloxy)cyclobutan-1-one
CID 66367847
3-Ethoxy-2,2-dimethylcyclobutanone
CID 24974871
Isopropyl 1-(difluoromethyl)-3,3-difluorocyclobutanecarboxylate
CID 118061692
Propan-2-yl 3,3-bis(difluoromethyl)cyclobutane-1-carboxylate
CID 118077465
2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxymethyl)-2-methylpentanal
CID 123673398
1,1,1,3,3,3-Hexafluoropropan-2-yl 3-oxo-2,2-bis(trifluoromethyl)pentanoate
CID 148734003
1-(2,2,3,3,4,4,4-Heptafluorobutoxy)-2,2-dimethylpentan-3-one
CID 155036208
5-Ethoxy-7,7,7-trifluoro-2,2-dimethylheptan-3-one
CID 10562016
5-Butoxy-7,7,7-trifluoro-2,2-dimethylheptan-3-one
CID 10683331
2-Ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
CID 66366594
2,2-Diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
CID 66366595
2,2-Dimethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
CID 66366799

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one?
The IUPAC name of 3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one (CID 86206503) is 3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one.
What is the SMILES notation for 3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one?
The canonical SMILES for 3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one is CCOC1CC(=O)C1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one?
The InChIKey is OYVGSUMIKWDJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O2/c1-2-16-5-3-4(15)6(5,7(9,10)11)8(12,13)14/h5H,2-3H2,1H3.
What are the key properties of 3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one?
3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one has a molecular weight of 250.14 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one is sourced from PubChem (CID 86206503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).