8-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-6-ol

C9H14F3NO — CID 144874079

IUPAC8-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-6-ol
SMILESOC1CNC2(CC2)C(CC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)4-6-3-7(14)5-13-8(6)1-2-8/h6-7,13-14H,1-5H2
InChIKeyBRBHBZSEBZPTFF-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.44
Rot. Bonds1

About 8-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-6-ol

8-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-6-ol (PubChem CID 144874079) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 8-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-6-ol.

Molecular Properties

Compound Name8-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-6-ol
PubChem CID144874079
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name8-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-6-ol
SMILESOC1CNC2(CC2)C(CC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)4-6-3-7(14)5-13-8(6)1-2-8/h6-7,13-14H,1-5H2
InChIKeyBRBHBZSEBZPTFF-UHFFFAOYSA-N
XLogP1.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-6-ol?
The IUPAC name of 8-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-6-ol (CID 144874079) is 8-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-6-ol.
What is the SMILES notation for 8-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-6-ol?
The canonical SMILES for 8-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-6-ol is OC1CNC2(CC2)C(CC(F)(F)F)C1.
What is the InChIKey of 8-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-6-ol?
The InChIKey is BRBHBZSEBZPTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)4-6-3-7(14)5-13-8(6)1-2-8/h6-7,13-14H,1-5H2.
What are the key properties of 8-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-6-ol?
8-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-6-ol has a molecular weight of 209.21 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,2-trifluoroethyl)-4-azaspiro[2.5]octan-6-ol is sourced from PubChem (CID 144874079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).