1-methyl-3-(trifluoromethyl)-2-oxaspiro[3.5]nonane

C10H15F3O — CID 58640588

IUPAC1-methyl-3-(trifluoromethyl)-2-oxaspiro[3.5]nonane
SMILESCC1OC(C(F)(F)F)C12CCCCC2
InChIInChI=1S/C10H15F3O/c1-7-9(5-3-2-4-6-9)8(14-7)10(11,12)13/h7-8H,2-6H2,1H3
InChIKeyHCLZUEJRBWKXHU-UHFFFAOYSA-N
MW208.22 g/mol
LogP3.29
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)-2-oxaspiro[3.5]nonane

1-methyl-3-(trifluoromethyl)-2-oxaspiro[3.5]nonane (PubChem CID 58640588) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-2-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-2-oxaspiro[3.5]nonane
PubChem CID58640588
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name1-methyl-3-(trifluoromethyl)-2-oxaspiro[3.5]nonane
SMILESCC1OC(C(F)(F)F)C12CCCCC2
InChIInChI=1S/C10H15F3O/c1-7-9(5-3-2-4-6-9)8(14-7)10(11,12)13/h7-8H,2-6H2,1H3
InChIKeyHCLZUEJRBWKXHU-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(Butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 57806697
2,2-Difluoro-8,8-dimethyl-1-propan-2-yloxynonane
CID 58275565
1-(4,4-Difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275572
1-(5,5-Difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclohexane
CID 58275591
1-(3,3-Difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275596
6,6-Difluoro-2,2,7,7-tetramethyl-1-propan-2-yloxyoctane
CID 58275619
1-(4,4-Difluoro-5,5-dimethylhexyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275621
3,3-Dimethyl-2-pentyl-4-(trifluoromethyl)oxetane
CID 58640657
3,3-Dimethyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxetane
CID 58895069
[2,2,2-Trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane
CID 58952846
4-Cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane
CID 59672092
1-(5,5-Difluorohexyl)-1-(methoxymethyl)cyclohexane
CID 69923808

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-2-oxaspiro[3.5]nonane?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-2-oxaspiro[3.5]nonane (CID 58640588) is 1-methyl-3-(trifluoromethyl)-2-oxaspiro[3.5]nonane.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-2-oxaspiro[3.5]nonane?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-2-oxaspiro[3.5]nonane is CC1OC(C(F)(F)F)C12CCCCC2.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-2-oxaspiro[3.5]nonane?
The InChIKey is HCLZUEJRBWKXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O/c1-7-9(5-3-2-4-6-9)8(14-7)10(11,12)13/h7-8H,2-6H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-2-oxaspiro[3.5]nonane?
1-methyl-3-(trifluoromethyl)-2-oxaspiro[3.5]nonane has a molecular weight of 208.22 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-2-oxaspiro[3.5]nonane is sourced from PubChem (CID 58640588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).