7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane

C8H12F3NO2 — CID 146155530

IUPAC7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)C1CC2(CCN1)OCCO2
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)6-5-7(1-2-12-6)13-3-4-14-7/h6,12H,1-5H2
InChIKeyMEKCBDLUTVMADU-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.04
Rot. Bonds

About 7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane

7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 146155530) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID146155530
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)C1CC2(CCN1)OCCO2
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)6-5-7(1-2-12-6)13-3-4-14-7/h6,12H,1-5H2
InChIKeyMEKCBDLUTVMADU-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 146155530) is 7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane is FC(F)(F)C1CC2(CCN1)OCCO2.
What is the InChIKey of 7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is MEKCBDLUTVMADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)6-5-7(1-2-12-6)13-3-4-14-7/h6,12H,1-5H2.
What are the key properties of 7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 211.18 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 146155530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).