7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

C9H14F3N3 — CID 79507320

IUPAC7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCCC(C(F)(F)F)C2)N1
InChIInChI=1S/C9H14F3N3/c10-9(11,12)6-2-1-3-8(4-6)5-14-7(13)15-8/h6H,1-5H2,(H3,13,14,15)
InChIKeyYJSLCLHJRDUFMO-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.40
Rot. Bonds

About 7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79507320) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79507320
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCCC(C(F)(F)F)C2)N1
InChIInChI=1S/C9H14F3N3/c10-9(11,12)6-2-1-3-8(4-6)5-14-7(13)15-8/h6H,1-5H2,(H3,13,14,15)
InChIKeyYJSLCLHJRDUFMO-UHFFFAOYSA-N
XLogP1.40
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79507320) is 7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is NC1=NCC2(CCCC(C(F)(F)F)C2)N1.
What is the InChIKey of 7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is YJSLCLHJRDUFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c10-9(11,12)6-2-1-3-8(4-6)5-14-7(13)15-8/h6H,1-5H2,(H3,13,14,15).
What are the key properties of 7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 221.23 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79507320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).