2-ethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one

C10H15F3O2 — CID 66367072

IUPAC2-ethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one
SMILESCCC1(C)C(=O)CC1OC(C)C(F)(F)F
InChIInChI=1S/C10H15F3O2/c1-4-9(3)7(14)5-8(9)15-6(2)10(11,12)13/h6,8H,4-5H2,1-3H3
InChIKeyMBPXTVYDRCZGCR-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.71
Rot. Bonds3

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

2-ethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one (PubChem CID 66367072) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one
PubChem CID66367072
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name2-ethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one
SMILESCCC1(C)C(=O)CC1OC(C)C(F)(F)F
InChIInChI=1S/C10H15F3O2/c1-4-9(3)7(14)5-8(9)15-6(2)10(11,12)13/h6,8H,4-5H2,1-3H3
InChIKeyMBPXTVYDRCZGCR-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

2,2-Diethyl-3-methoxycyclobutan-1-one
CID 66367012
Cyclobutanone, 2,2-diethyl-3-methoxy-4-methyl-
CID 71757914
3-Ethoxy-2,2-bis(trifluoromethyl)cyclobutan-1-one
CID 86206503
Propan-2-yl 1-(difluoromethyl)-3-ethyl-3-fluorocyclobutane-1-carboxylate
CID 118087190
3-Ethoxy-2,2-diethylcyclobutan-1-one
CID 44249467
trans-(3S,4S)-3-ethoxy-4-ethyl-2,2-dimethylcyclobutan-1-one
CID 130891467
cis-(3R,4S)-3-ethoxy-4-ethyl-2,2-dimethylcyclobutan-1-one
CID 134987970
1-(2,2,2-Trifluoroethoxy)spiro[3.4]octan-3-one
CID 66366592
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
1-(1,1,1-Trifluoropropan-2-yloxy)spiro[3.6]decan-3-one
CID 66367069

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one?
The IUPAC name of 2-ethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one (CID 66367072) is 2-ethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one.
What is the SMILES notation for 2-ethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one?
The canonical SMILES for 2-ethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one is CCC1(C)C(=O)CC1OC(C)C(F)(F)F.
What is the InChIKey of 2-ethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one?
The InChIKey is MBPXTVYDRCZGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c1-4-9(3)7(14)5-8(9)15-6(2)10(11,12)13/h6,8H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one?
2-ethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one has a molecular weight of 224.22 g/mol, XLogP of 2.71, 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-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one is sourced from PubChem (CID 66367072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).