8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azaspiro[4.5]decane

C9H14F3NO2 — CID 67007162

IUPAC8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)CN1CCC2(CC1)OCCO2
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)7-13-3-1-8(2-4-13)14-5-6-15-8/h1-7H2
InChIKeyHNIHCKHQRCLHDZ-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.39
Rot. Bonds1

About 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 67007162) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID67007162
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)CN1CCC2(CC1)OCCO2
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)7-13-3-1-8(2-4-13)14-5-6-15-8/h1-7H2
InChIKeyHNIHCKHQRCLHDZ-UHFFFAOYSA-N
XLogP1.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 67007162) is 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azaspiro[4.5]decane is FC(F)(F)CN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is HNIHCKHQRCLHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)7-13-3-1-8(2-4-13)14-5-6-15-8/h1-7H2.
What are the key properties of 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 225.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 67007162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).