1-(1,4-diazaspiro[5.5]undecan-1-yl)-2,2,2-trifluoroethanone;hydrochloride

C11H18ClF3N2O — CID 122156993

IUPAC1-(1,4-diazaspiro[5.5]undecan-1-yl)-2,2,2-trifluoroethanone;hydrochloride
SMILESCl.O=C(N1CCNCC12CCCCC2)C(F)(F)F
InChIInChI=1S/C11H17F3N2O.ClH/c12-11(13,14)9(17)16-7-6-15-8-10(16)4-2-1-3-5-10;/h15H,1-8H2;1H
InChIKeyQKOGGUPZAVMNKG-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.11
Rot. Bonds

About 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2,2,2-trifluoroethanone;hydrochloride

1-(1,4-diazaspiro[5.5]undecan-1-yl)-2,2,2-trifluoroethanone;hydrochloride (PubChem CID 122156993) has the molecular formula C11H18ClF3N2O and a molecular weight of 286.73 g/mol. Its IUPAC name is 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2,2,2-trifluoroethanone;hydrochloride.

Molecular Properties

Compound Name1-(1,4-diazaspiro[5.5]undecan-1-yl)-2,2,2-trifluoroethanone;hydrochloride
PubChem CID122156993
Molecular FormulaC11H18ClF3N2O
Molecular Weight286.73 g/mol
Exact Mass286.11
IUPAC Name1-(1,4-diazaspiro[5.5]undecan-1-yl)-2,2,2-trifluoroethanone;hydrochloride
SMILESCl.O=C(N1CCNCC12CCCCC2)C(F)(F)F
InChIInChI=1S/C11H17F3N2O.ClH/c12-11(13,14)9(17)16-7-6-15-8-10(16)4-2-1-3-5-10;/h15H,1-8H2;1H
InChIKeyQKOGGUPZAVMNKG-UHFFFAOYSA-N
XLogP2.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2,2,2-trifluoroethanone;hydrochloride?
The IUPAC name of 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2,2,2-trifluoroethanone;hydrochloride (CID 122156993) is 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2,2,2-trifluoroethanone;hydrochloride.
What is the SMILES notation for 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2,2,2-trifluoroethanone;hydrochloride?
The canonical SMILES for 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2,2,2-trifluoroethanone;hydrochloride is Cl.O=C(N1CCNCC12CCCCC2)C(F)(F)F.
What is the InChIKey of 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2,2,2-trifluoroethanone;hydrochloride?
The InChIKey is QKOGGUPZAVMNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O.ClH/c12-11(13,14)9(17)16-7-6-15-8-10(16)4-2-1-3-5-10;/h15H,1-8H2;1H.
What are the key properties of 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2,2,2-trifluoroethanone;hydrochloride?
1-(1,4-diazaspiro[5.5]undecan-1-yl)-2,2,2-trifluoroethanone;hydrochloride has a molecular weight of 286.73 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazaspiro[5.5]undecan-1-yl)-2,2,2-trifluoroethanone;hydrochloride is sourced from PubChem (CID 122156993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).