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

C9H14F3NO — CID 163294962

IUPAC3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine
SMILESNC1CCC2(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
InChIKeyPCTLKMWTGXTNOA-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.84
Rot. Bonds

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

3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine (PubChem CID 163294962) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine
PubChem CID163294962
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine
SMILESNC1CCC2(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
InChIKeyPCTLKMWTGXTNOA-UHFFFAOYSA-N
XLogP1.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine?
The IUPAC name of 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine (CID 163294962) is 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine.
What is the SMILES notation for 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine?
The canonical SMILES for 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine is NC1CCC2(CC1)OCC2C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine?
The InChIKey is PCTLKMWTGXTNOA-UHFFFAOYSA-N. 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.
What are the key properties of 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine?
3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine has a molecular weight of 209.21 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine is sourced from PubChem (CID 163294962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).