3-methyl-6-(trifluoromethyl)-1-oxaspiro[3.5]nonane

C10H15F3O — CID 134386933

IUPAC3-methyl-6-(trifluoromethyl)-1-oxaspiro[3.5]nonane
SMILESCC1COC12CCCC(C(F)(F)F)C2
InChIInChI=1S/C10H15F3O/c1-7-6-14-9(7)4-2-3-8(5-9)10(11,12)13/h7-8H,2-6H2,1H3
InChIKeyNKIFVOJGXZYIBH-UHFFFAOYSA-N
MW208.22 g/mol
LogP3.14
Rot. Bonds

About 3-methyl-6-(trifluoromethyl)-1-oxaspiro[3.5]nonane

3-methyl-6-(trifluoromethyl)-1-oxaspiro[3.5]nonane (PubChem CID 134386933) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-methyl-6-(trifluoromethyl)-1-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name3-methyl-6-(trifluoromethyl)-1-oxaspiro[3.5]nonane
PubChem CID134386933
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name3-methyl-6-(trifluoromethyl)-1-oxaspiro[3.5]nonane
SMILESCC1COC12CCCC(C(F)(F)F)C2
InChIInChI=1S/C10H15F3O/c1-7-6-14-9(7)4-2-3-8(5-9)10(11,12)13/h7-8H,2-6H2,1H3
InChIKeyNKIFVOJGXZYIBH-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(trifluoromethyl)-1-oxaspiro[3.5]nonane?
The IUPAC name of 3-methyl-6-(trifluoromethyl)-1-oxaspiro[3.5]nonane (CID 134386933) is 3-methyl-6-(trifluoromethyl)-1-oxaspiro[3.5]nonane.
What is the SMILES notation for 3-methyl-6-(trifluoromethyl)-1-oxaspiro[3.5]nonane?
The canonical SMILES for 3-methyl-6-(trifluoromethyl)-1-oxaspiro[3.5]nonane is CC1COC12CCCC(C(F)(F)F)C2.
What is the InChIKey of 3-methyl-6-(trifluoromethyl)-1-oxaspiro[3.5]nonane?
The InChIKey is NKIFVOJGXZYIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O/c1-7-6-14-9(7)4-2-3-8(5-9)10(11,12)13/h7-8H,2-6H2,1H3.
What are the key properties of 3-methyl-6-(trifluoromethyl)-1-oxaspiro[3.5]nonane?
3-methyl-6-(trifluoromethyl)-1-oxaspiro[3.5]nonane has a molecular weight of 208.22 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(trifluoromethyl)-1-oxaspiro[3.5]nonane is sourced from PubChem (CID 134386933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).