3-(trifluoromethyl)-1-oxaspiro[4.5]dec-3-en-2-one

C10H11F3O2 — CID 11241464

IUPAC3-(trifluoromethyl)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1OC2(C=C1C(F)(F)F)CCCCC2
InChIInChI=1S/C10H11F3O2/c11-10(12,13)7-6-9(15-8(7)14)4-2-1-3-5-9/h6H,1-5H2
InChIKeyPRGYXMPNLFNJFF-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.73
Rot. Bonds

About 3-(trifluoromethyl)-1-oxaspiro[4.5]dec-3-en-2-one

3-(trifluoromethyl)-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 11241464) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID11241464
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name3-(trifluoromethyl)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1OC2(C=C1C(F)(F)F)CCCCC2
InChIInChI=1S/C10H11F3O2/c11-10(12,13)7-6-9(15-8(7)14)4-2-1-3-5-9/h6H,1-5H2
InChIKeyPRGYXMPNLFNJFF-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(trifluoromethyl)-1-oxaspiro[4.5]dec-3-en-2-one (CID 11241464) is 3-(trifluoromethyl)-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(trifluoromethyl)-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(trifluoromethyl)-1-oxaspiro[4.5]dec-3-en-2-one is O=C1OC2(C=C1C(F)(F)F)CCCCC2.
What is the InChIKey of 3-(trifluoromethyl)-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is PRGYXMPNLFNJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c11-10(12,13)7-6-9(15-8(7)14)4-2-1-3-5-9/h6H,1-5H2.
What are the key properties of 3-(trifluoromethyl)-1-oxaspiro[4.5]dec-3-en-2-one?
3-(trifluoromethyl)-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 220.19 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 11241464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).