2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)

C15H24F6N2O4 — CID 87511435

IUPAC2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)N1CCC2(CCNCC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22N2.2C2HF3O2/c1-10(2)13-8-5-11(9-13)3-6-12-7-4-11;2*3-2(4,5)1(6)7/h10,12H,3-9H2,1-2H3;2*(H,6,7)
InChIKeyCMPPVCCDKOTDLZ-UHFFFAOYSA-N
MW410.36 g/mol
LogP2.74
Rot. Bonds1

About 2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)

2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87511435) has the molecular formula C15H24F6N2O4 and a molecular weight of 410.36 g/mol. Its IUPAC name is 2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
PubChem CID87511435
Molecular FormulaC15H24F6N2O4
Molecular Weight410.36 g/mol
Exact Mass410.16
IUPAC Name2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)N1CCC2(CCNCC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22N2.2C2HF3O2/c1-10(2)13-8-5-11(9-13)3-6-12-7-4-11;2*3-2(4,5)1(6)7/h10,12H,3-9H2,1-2H3;2*(H,6,7)
InChIKeyCMPPVCCDKOTDLZ-UHFFFAOYSA-N
XLogP2.74
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) (CID 87511435) is 2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) is CC(C)N1CCC2(CCNCC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is CMPPVCCDKOTDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.2C2HF3O2/c1-10(2)13-8-5-11(9-13)3-6-12-7-4-11;2*3-2(4,5)1(6)7/h10,12H,3-9H2,1-2H3;2*(H,6,7).
What are the key properties of 2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)?
2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 410.36 g/mol, XLogP of 2.74, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87511435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).