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

C10H16ClF3N2O — CID 87252813

IUPAC1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone;hydrochloride
SMILESCC[C@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1.Cl
InChIInChI=1S/C10H15F3N2O.ClH/c1-2-7-5-15(8(16)10(11,12)13)9(3-4-9)6-14-7;/h7,14H,2-6H2,1H3;1H/t7-;/m0./s1
InChIKeyLYPNHVJLQJTZRG-FJXQXJEOSA-N
MW272.70 g/mol
LogP1.71
Rot. Bonds1

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

1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone;hydrochloride (PubChem CID 87252813) has the molecular formula C10H16ClF3N2O and a molecular weight of 272.70 g/mol. Its IUPAC name is 1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone;hydrochloride.

Molecular Properties

Compound Name1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone;hydrochloride
PubChem CID87252813
Molecular FormulaC10H16ClF3N2O
Molecular Weight272.70 g/mol
Exact Mass272.09
IUPAC Name1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone;hydrochloride
SMILESCC[C@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1.Cl
InChIInChI=1S/C10H15F3N2O.ClH/c1-2-7-5-15(8(16)10(11,12)13)9(3-4-9)6-14-7;/h7,14H,2-6H2,1H3;1H/t7-;/m0./s1
InChIKeyLYPNHVJLQJTZRG-FJXQXJEOSA-N
XLogP1.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;hydrochloride?
The IUPAC name of 1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone;hydrochloride (CID 87252813) is 1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone;hydrochloride.
What is the SMILES notation for 1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone;hydrochloride?
The canonical SMILES for 1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone;hydrochloride is CC[C@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1.Cl.
What is the InChIKey of 1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone;hydrochloride?
The InChIKey is LYPNHVJLQJTZRG-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H15F3N2O.ClH/c1-2-7-5-15(8(16)10(11,12)13)9(3-4-9)6-14-7;/h7,14H,2-6H2,1H3;1H/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;hydrochloride?
1-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone;hydrochloride has a molecular weight of 272.70 g/mol, XLogP of 1.71, 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;hydrochloride is sourced from PubChem (CID 87252813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).