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

C9H14ClF3N2O — CID 87252773

IUPAC2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone;hydrochloride
SMILESC[C@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1.Cl
InChIInChI=1S/C9H13F3N2O.ClH/c1-6-4-14(7(15)9(10,11)12)8(2-3-8)5-13-6;/h6,13H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKeyDYHVJEZISMNUCB-RGMNGODLSA-N
MW258.67 g/mol
LogP1.32
Rot. Bonds

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

2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone;hydrochloride (PubChem CID 87252773) has the molecular formula C9H14ClF3N2O and a molecular weight of 258.67 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone;hydrochloride
PubChem CID87252773
Molecular FormulaC9H14ClF3N2O
Molecular Weight258.67 g/mol
Exact Mass258.07
IUPAC Name2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone;hydrochloride
SMILESC[C@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1.Cl
InChIInChI=1S/C9H13F3N2O.ClH/c1-6-4-14(7(15)9(10,11)12)8(2-3-8)5-13-6;/h6,13H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKeyDYHVJEZISMNUCB-RGMNGODLSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.67
LogP ≤ 51.32
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;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone;hydrochloride (CID 87252773) is 2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone;hydrochloride is C[C@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1.Cl.
What is the InChIKey of 2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone;hydrochloride?
The InChIKey is DYHVJEZISMNUCB-RGMNGODLSA-N. The full InChI is InChI=1S/C9H13F3N2O.ClH/c1-6-4-14(7(15)9(10,11)12)8(2-3-8)5-13-6;/h6,13H,2-5H2,1H3;1H/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;hydrochloride?
2,2,2-trifluoro-1-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-4-yl]ethanone;hydrochloride has a molecular weight of 258.67 g/mol, XLogP of 1.32, 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;hydrochloride is sourced from PubChem (CID 87252773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).