[3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-yl]azanium

C9H15F3NO+ — CID 163294963

IUPAC[3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-yl]azanium
SMILES[NH3+]C1CCC2(CC1)OCC2C(F)(F)F
InChIInChI=1S/C9H14F3NO/c10-9(11,12)7-5-14-8(7)3-1-6(13)2-4-8/h6-7H,1-5,13H2/p+1
InChIKeyPCTLKMWTGXTNOA-UHFFFAOYSA-O
MW210.22 g/mol
LogP1.12
Rot. Bonds

About [3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-yl]azanium

[3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-yl]azanium (PubChem CID 163294963) has the molecular formula C9H15F3NO+ and a molecular weight of 210.22 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-yl]azanium.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-yl]azanium
PubChem CID163294963
Molecular FormulaC9H15F3NO+
Molecular Weight210.22 g/mol
Exact Mass210.11
IUPAC Name[3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-yl]azanium
SMILES[NH3+]C1CCC2(CC1)OCC2C(F)(F)F
InChIInChI=1S/C9H14F3NO/c10-9(11,12)7-5-14-8(7)3-1-6(13)2-4-8/h6-7H,1-5,13H2/p+1
InChIKeyPCTLKMWTGXTNOA-UHFFFAOYSA-O
XLogP1.12
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-yl]azanium?
The IUPAC name of [3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-yl]azanium (CID 163294963) is [3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-yl]azanium.
What is the SMILES notation for [3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-yl]azanium?
The canonical SMILES for [3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-yl]azanium is [NH3+]C1CCC2(CC1)OCC2C(F)(F)F.
What is the InChIKey of [3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-yl]azanium?
The InChIKey is PCTLKMWTGXTNOA-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)7-5-14-8(7)3-1-6(13)2-4-8/h6-7H,1-5,13H2/p+1.
What are the key properties of [3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-yl]azanium?
[3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-yl]azanium has a molecular weight of 210.22 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-yl]azanium is sourced from PubChem (CID 163294963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).