N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate

C15H18F3N2O2- — CID 171922421

IUPACN-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.c1ccc(NC2CC3(CCNC3)C2)cc1
InChIInChI=1S/C13H18N2.C2HF3O2/c1-2-4-11(5-3-1)15-12-8-13(9-12)6-7-14-10-13;3-2(4,5)1(6)7/h1-5,12,14-15H,6-10H2;(H,6,7)/p-1
InChIKeyJKVRUHZJLUSLRU-UHFFFAOYSA-M
MW315.31 g/mol
LogP1.54
Rot. Bonds2

About N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate

N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate (PubChem CID 171922421) has the molecular formula C15H18F3N2O2- and a molecular weight of 315.31 g/mol. Its IUPAC name is N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate.

Molecular Properties

Compound NameN-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate
PubChem CID171922421
Molecular FormulaC15H18F3N2O2-
Molecular Weight315.31 g/mol
Exact Mass315.13
IUPAC NameN-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.c1ccc(NC2CC3(CCNC3)C2)cc1
InChIInChI=1S/C13H18N2.C2HF3O2/c1-2-4-11(5-3-1)15-12-8-13(9-12)6-7-14-10-13;3-2(4,5)1(6)7/h1-5,12,14-15H,6-10H2;(H,6,7)/p-1
InChIKeyJKVRUHZJLUSLRU-UHFFFAOYSA-M
XLogP1.54
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate?
The IUPAC name of N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate (CID 171922421) is N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate.
What is the SMILES notation for N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate?
The canonical SMILES for N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.c1ccc(NC2CC3(CCNC3)C2)cc1.
What is the InChIKey of N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate?
The InChIKey is JKVRUHZJLUSLRU-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H18N2.C2HF3O2/c1-2-4-11(5-3-1)15-12-8-13(9-12)6-7-14-10-13;3-2(4,5)1(6)7/h1-5,12,14-15H,6-10H2;(H,6,7)/p-1.
What are the key properties of N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate?
N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate has a molecular weight of 315.31 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate is sourced from PubChem (CID 171922421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).