2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone

C9H13F3N2O — CID 87252774

IUPAC2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone
SMILESC[C@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1
InChIInChI=1S/C9H13F3N2O/c1-6-4-14(7(15)9(10,11)12)8(2-3-8)5-13-6/h6,13H,2-5H2,1H3/t6-/m0/s1
InChIKeySZIIZYVUYCUXFC-LURJTMIESA-N
MW222.21 g/mol
LogP0.90
Rot. Bonds

About 2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone

2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone (PubChem CID 87252774) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone
PubChem CID87252774
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone
SMILESC[C@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1
InChIInChI=1S/C9H13F3N2O/c1-6-4-14(7(15)9(10,11)12)8(2-3-8)5-13-6/h6,13H,2-5H2,1H3/t6-/m0/s1
InChIKeySZIIZYVUYCUXFC-LURJTMIESA-N
XLogP0.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone (CID 87252774) is 2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone is C[C@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1.
What is the InChIKey of 2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone?
The InChIKey is SZIIZYVUYCUXFC-LURJTMIESA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-6-4-14(7(15)9(10,11)12)8(2-3-8)5-13-6/h6,13H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone?
2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone has a molecular weight of 222.21 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone is sourced from PubChem (CID 87252774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).