8,8-difluoro-2,6-diazaspiro[4.5]decan-1-one

C8H12F2N2O — CID 105444025

IUPAC8,8-difluoro-2,6-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCC(F)(F)CN2
InChIInChI=1S/C8H12F2N2O/c9-8(10)2-1-7(12-5-8)3-4-11-6(7)13/h12H,1-5H2,(H,11,13)
InChIKeyFDNDQRPOUXNWKL-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.26
Rot. Bonds

About 8,8-difluoro-2,6-diazaspiro[4.5]decan-1-one

8,8-difluoro-2,6-diazaspiro[4.5]decan-1-one (PubChem CID 105444025) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 8,8-difluoro-2,6-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8,8-difluoro-2,6-diazaspiro[4.5]decan-1-one
PubChem CID105444025
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name8,8-difluoro-2,6-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCC(F)(F)CN2
InChIInChI=1S/C8H12F2N2O/c9-8(10)2-1-7(12-5-8)3-4-11-6(7)13/h12H,1-5H2,(H,11,13)
InChIKeyFDNDQRPOUXNWKL-UHFFFAOYSA-N
XLogP0.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Diazaspiro[4.5]decan-1-one
CID 55263339
2,6-Diazaspiro(4.5)decan-1-one hydrochloride
CID 55263338
4-(3,3-Difluoropyrrolidin-1-yl)piperidine-4-carboxamide
CID 70952129
1-(1,9-Diazaspiro[4.5]decan-1-yl)-2,2,2-trifluoroethanone
CID 131268718
2-(1,1,2-Trifluoroethyl)piperidine-2-carboxamide
CID 137468593
2-(2,2,2-Trifluoroethyl)piperidine-2-carboxamide
CID 137468594
2-(1,2,2-Trifluoroethyl)piperidine-2-carboxamide
CID 137468595
(2S)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4,4-difluoropiperidine-2-carboxamide
CID 168182243
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide
CID 60856490
1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 60856636
3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 62338922
2-piperidin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 62675609

Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-2,6-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8,8-difluoro-2,6-diazaspiro[4.5]decan-1-one (CID 105444025) is 8,8-difluoro-2,6-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8,8-difluoro-2,6-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8,8-difluoro-2,6-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCC(F)(F)CN2.
What is the InChIKey of 8,8-difluoro-2,6-diazaspiro[4.5]decan-1-one?
The InChIKey is FDNDQRPOUXNWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c9-8(10)2-1-7(12-5-8)3-4-11-6(7)13/h12H,1-5H2,(H,11,13).
What are the key properties of 8,8-difluoro-2,6-diazaspiro[4.5]decan-1-one?
8,8-difluoro-2,6-diazaspiro[4.5]decan-1-one has a molecular weight of 190.19 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-2,6-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 105444025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).