1-(2,2,2-trifluoroethoxy)spiro[3.4]octan-3-one

C10H13F3O2 — CID 66366592

IUPAC1-(2,2,2-trifluoroethoxy)spiro[3.4]octan-3-one
SMILESO=C1CC(OCC(F)(F)F)C12CCCC2
InChIInChI=1S/C10H13F3O2/c11-10(12,13)6-15-8-5-7(14)9(8)3-1-2-4-9/h8H,1-6H2
InChIKeyWNRDBWYRTBULNF-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.47
Rot. Bonds2

About 1-(2,2,2-trifluoroethoxy)spiro[3.4]octan-3-one

1-(2,2,2-trifluoroethoxy)spiro[3.4]octan-3-one (PubChem CID 66366592) has the molecular formula C10H13F3O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)spiro[3.4]octan-3-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)spiro[3.4]octan-3-one
PubChem CID66366592
Molecular FormulaC10H13F3O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name1-(2,2,2-trifluoroethoxy)spiro[3.4]octan-3-one
SMILESO=C1CC(OCC(F)(F)F)C12CCCC2
InChIInChI=1S/C10H13F3O2/c11-10(12,13)6-15-8-5-7(14)9(8)3-1-2-4-9/h8H,1-6H2
InChIKeyWNRDBWYRTBULNF-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethoxyspiro[3.4]octan-1-one
CID 53621925
Ethyl 3-oxo-3-(1-(trifluoromethyl)cyclopentyl)propanoate
CID 71247740
1-(2,2,2-Trifluoroethoxy)spiro[3.6]decan-3-one
CID 66366391
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
1-(2,2,2-Trifluoroethoxy)spiro[3.5]nonan-3-one
CID 66366798
1-(1,1,1-Trifluoropropan-2-yloxy)spiro[3.6]decan-3-one
CID 66367069
1-(1,1,1-Trifluoropropan-2-yloxy)spiro[3.4]octan-3-one
CID 66367070
2-Ethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-one
CID 66367072
1-(1,1,1-Trifluoropropan-2-yloxy)spiro[3.5]nonan-3-one
CID 66367274
3-(2,2-Difluoroethoxy)-2-ethyl-2-methylcyclobutan-1-one
CID 82010022
1-(2,2-Difluoroethoxy)spiro[3.6]decan-3-one
CID 82010152

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)spiro[3.4]octan-3-one?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)spiro[3.4]octan-3-one (CID 66366592) is 1-(2,2,2-trifluoroethoxy)spiro[3.4]octan-3-one.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)spiro[3.4]octan-3-one?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)spiro[3.4]octan-3-one is O=C1CC(OCC(F)(F)F)C12CCCC2.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)spiro[3.4]octan-3-one?
The InChIKey is WNRDBWYRTBULNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O2/c11-10(12,13)6-15-8-5-7(14)9(8)3-1-2-4-9/h8H,1-6H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)spiro[3.4]octan-3-one?
1-(2,2,2-trifluoroethoxy)spiro[3.4]octan-3-one has a molecular weight of 222.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)spiro[3.4]octan-3-one is sourced from PubChem (CID 66366592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).