2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

C9H15F3N2O2 — CID 175784394

IUPAC2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESC1CC2(CCN1)CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2.C2HF3O2/c1-3-8-4-2-7(1)5-9-6-7;3-2(4,5)1(6)7/h8-9H,1-6H2;(H,6,7)
InChIKeyXSOPFVNCSTXDBS-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.59
Rot. Bonds

About 2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (PubChem CID 175784394) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
PubChem CID175784394
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESC1CC2(CCN1)CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2.C2HF3O2/c1-3-8-4-2-7(1)5-9-6-7;3-2(4,5)1(6)7/h8-9H,1-6H2;(H,6,7)
InChIKeyXSOPFVNCSTXDBS-UHFFFAOYSA-N
XLogP0.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Azetidin-1-ylmethyl)piperidine,bis(trifluoroacetic acid)
CID 53484595
1-{2,7-Diazaspiro[3.5]nonan-7-yl}ethan-1-one; trifluoroacetic acid
CID 132353978
2-(Prop-2-yn-1-yl)-2,7-diazaspiro(3.5)nonane; bis(trifluoroacetic acid)
CID 165750275
2,7-Diazaspiro[3.5]nonan-6-one, trifluoroacetic acid
CID 170913128
6-Azaspiro[2.5]octane trifluoroacetate
CID 66661397
2-Oxa-7-azaspiro[3.5]nonane 2,2,2-trifluoroacetate
CID 67074719
Piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid
CID 68619391
4-(Difluoromethyl)piperidine;2,2,2-trifluoroacetic acid
CID 68758252
3,9-Diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 69287850
2-Piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid
CID 70864621
1-[2-(Azetidin-3-yl)ethyl]piperidine-4,4-dicarbonitrile;2,2,2-trifluoroacetic acid
CID 126573280
7-(2,2-Difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 126573815

Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The IUPAC name of 2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (CID 175784394) is 2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is C1CC2(CCN1)CNC2.O=C(O)C(F)(F)F.
What is the InChIKey of 2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The InChIKey is XSOPFVNCSTXDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C2HF3O2/c1-3-8-4-2-7(1)5-9-6-7;3-2(4,5)1(6)7/h8-9H,1-6H2;(H,6,7).
What are the key properties of 2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid has a molecular weight of 240.22 g/mol, XLogP of 0.59, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175784394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).