3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine

C12H20F3NO — CID 64863452

IUPAC3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCC(F)(F)F)C12CCCC2
InChIInChI=1S/C12H20F3NO/c1-2-17-10-7-9(16-8-12(13,14)15)11(10)5-3-4-6-11/h9-10,16H,2-8H2,1H3
InChIKeyAUJUZFUODMQURN-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.88
Rot. Bonds4

About 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine

3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine (PubChem CID 64863452) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine
PubChem CID64863452
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCC(F)(F)F)C12CCCC2
InChIInChI=1S/C12H20F3NO/c1-2-17-10-7-9(16-8-12(13,14)15)11(10)5-3-4-6-11/h9-10,16H,2-8H2,1H3
InChIKeyAUJUZFUODMQURN-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine (CID 64863452) is 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine is CCOC1CC(NCC(F)(F)F)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine?
The InChIKey is AUJUZFUODMQURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-2-17-10-7-9(16-8-12(13,14)15)11(10)5-3-4-6-11/h9-10,16H,2-8H2,1H3.
What are the key properties of 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine?
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine has a molecular weight of 251.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.4]octan-1-amine is sourced from PubChem (CID 64863452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).