1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone

C10H15F3N2O — CID 87252814

IUPAC1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
SMILESCC[C@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1
InChIInChI=1S/C10H15F3N2O/c1-2-7-5-15(8(16)10(11,12)13)9(3-4-9)6-14-7/h7,14H,2-6H2,1H3/t7-/m0/s1
InChIKeyRJJPOISIVMYPJK-ZETCQYMHSA-N
MW236.24 g/mol
LogP1.29
Rot. Bonds1

About 1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone

1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone (PubChem CID 87252814) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
PubChem CID87252814
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
SMILESCC[C@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1
InChIInChI=1S/C10H15F3N2O/c1-2-7-5-15(8(16)10(11,12)13)9(3-4-9)6-14-7/h7,14H,2-6H2,1H3/t7-/m0/s1
InChIKeyRJJPOISIVMYPJK-ZETCQYMHSA-N
XLogP1.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone (CID 87252814) is 1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone is CC[C@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1.
What is the InChIKey of 1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
The InChIKey is RJJPOISIVMYPJK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-2-7-5-15(8(16)10(11,12)13)9(3-4-9)6-14-7/h7,14H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of 1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone has a molecular weight of 236.24 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 87252814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).