2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-6-one

C8H9F3N2O2 — CID 167719808

IUPAC2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-6-one
SMILESO=C1CC2(CN1)CN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)6(15)13-3-7(4-13)1-5(14)12-2-7/h1-4H2,(H,12,14)
InChIKeyCMDAWIPGSXNIEA-UHFFFAOYSA-N
MW222.17 g/mol
LogP-0.10
Rot. Bonds

About 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-6-one

2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-6-one (PubChem CID 167719808) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-6-one
PubChem CID167719808
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-6-one
SMILESO=C1CC2(CN1)CN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)6(15)13-3-7(4-13)1-5(14)12-2-7/h1-4H2,(H,12,14)
InChIKeyCMDAWIPGSXNIEA-UHFFFAOYSA-N
XLogP-0.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Diazaspiro[3.4]octan-7-one
CID 57416912
2,6-Diazaspiro[3.4]octan-7-one; trifluoroacetic acid
CID 134611665
2,2,2-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86102547
8,8-Difluoro-6-methyl-2,6-diazaspiro(3.4)octan-7-one; trifluoroacetic acid
CID 136575648
2,6-Diazaspiro[3.4]octan-5-one
CID 55264583
N,N-dimethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710914
Azetidin-3-yl(3,3-difluoropyrrolidin-1-yl)methanone
CID 116991685
2-(2,2,2-Trifluoroacetyl)-2,7-diazaspiro[3.4]octan-5-one
CID 118525468
2-[1-(Trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide
CID 175981334
3-(difluoromethyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 176350473
4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide
CID 54926980
3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55164954

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-6-one (CID 167719808) is 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-6-one is O=C1CC2(CN1)CN(C(=O)C(F)(F)F)C2.
What is the InChIKey of 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-6-one?
The InChIKey is CMDAWIPGSXNIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c9-8(10,11)6(15)13-3-7(4-13)1-5(14)12-2-7/h1-4H2,(H,12,14).
What are the key properties of 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-6-one?
2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-6-one has a molecular weight of 222.17 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 167719808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).