1-(4,7-diazaspiro[2.5]octan-4-yl)-2,2,2-trifluoroethanone;hydrochloride

C8H12ClF3N2O — CID 86641999

IUPAC1-(4,7-diazaspiro[2.5]octan-4-yl)-2,2,2-trifluoroethanone;hydrochloride
SMILESCl.O=C(N1CCNCC12CC2)C(F)(F)F
InChIInChI=1S/C8H11F3N2O.ClH/c9-8(10,11)6(14)13-4-3-12-5-7(13)1-2-7;/h12H,1-5H2;1H
InChIKeyYOSRSBZCPFPROJ-UHFFFAOYSA-N
MW244.64 g/mol
LogP0.93
Rot. Bonds

About 1-(4,7-diazaspiro[2.5]octan-4-yl)-2,2,2-trifluoroethanone;hydrochloride

1-(4,7-diazaspiro[2.5]octan-4-yl)-2,2,2-trifluoroethanone;hydrochloride (PubChem CID 86641999) has the molecular formula C8H12ClF3N2O and a molecular weight of 244.64 g/mol. Its IUPAC name is 1-(4,7-diazaspiro[2.5]octan-4-yl)-2,2,2-trifluoroethanone;hydrochloride.

Molecular Properties

Compound Name1-(4,7-diazaspiro[2.5]octan-4-yl)-2,2,2-trifluoroethanone;hydrochloride
PubChem CID86641999
Molecular FormulaC8H12ClF3N2O
Molecular Weight244.64 g/mol
Exact Mass244.06
IUPAC Name1-(4,7-diazaspiro[2.5]octan-4-yl)-2,2,2-trifluoroethanone;hydrochloride
SMILESCl.O=C(N1CCNCC12CC2)C(F)(F)F
InChIInChI=1S/C8H11F3N2O.ClH/c9-8(10,11)6(14)13-4-3-12-5-7(13)1-2-7;/h12H,1-5H2;1H
InChIKeyYOSRSBZCPFPROJ-UHFFFAOYSA-N
XLogP0.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.64
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,7-diazaspiro[2.5]octan-4-yl)-2,2,2-trifluoroethanone;hydrochloride?
The IUPAC name of 1-(4,7-diazaspiro[2.5]octan-4-yl)-2,2,2-trifluoroethanone;hydrochloride (CID 86641999) is 1-(4,7-diazaspiro[2.5]octan-4-yl)-2,2,2-trifluoroethanone;hydrochloride.
What is the SMILES notation for 1-(4,7-diazaspiro[2.5]octan-4-yl)-2,2,2-trifluoroethanone;hydrochloride?
The canonical SMILES for 1-(4,7-diazaspiro[2.5]octan-4-yl)-2,2,2-trifluoroethanone;hydrochloride is Cl.O=C(N1CCNCC12CC2)C(F)(F)F.
What is the InChIKey of 1-(4,7-diazaspiro[2.5]octan-4-yl)-2,2,2-trifluoroethanone;hydrochloride?
The InChIKey is YOSRSBZCPFPROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O.ClH/c9-8(10,11)6(14)13-4-3-12-5-7(13)1-2-7;/h12H,1-5H2;1H.
What are the key properties of 1-(4,7-diazaspiro[2.5]octan-4-yl)-2,2,2-trifluoroethanone;hydrochloride?
1-(4,7-diazaspiro[2.5]octan-4-yl)-2,2,2-trifluoroethanone;hydrochloride has a molecular weight of 244.64 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-diazaspiro[2.5]octan-4-yl)-2,2,2-trifluoroethanone;hydrochloride is sourced from PubChem (CID 86641999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).