2,2,2-trifluoro-1-(4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)ethanone

C10H15F3N2O2 — CID 88544987

IUPAC2,2,2-trifluoro-1-(4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)ethanone
SMILESO=C(N1CCOCC12CCNCC2)C(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)8(16)15-5-6-17-7-9(15)1-3-14-4-2-9/h14H,1-7H2
InChIKeyQVOPAZUGXWGWCV-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.53
Rot. Bonds

About 2,2,2-trifluoro-1-(4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)ethanone

2,2,2-trifluoro-1-(4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)ethanone (PubChem CID 88544987) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)ethanone
PubChem CID88544987
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name2,2,2-trifluoro-1-(4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)ethanone
SMILESO=C(N1CCOCC12CCNCC2)C(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)8(16)15-5-6-17-7-9(15)1-3-14-4-2-9/h14H,1-7H2
InChIKeyQVOPAZUGXWGWCV-UHFFFAOYSA-N
XLogP0.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone
CID 57989026
3,3,3-trifluoro-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]propanamide
CID 134435833
2-Morpholin-3-yl-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 80421598
2-Morpholin-3-yl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 80422268
2,2-difluoro-1-[(6R)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 97372327
2,2-difluoro-1-[(6S)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 97372328
1-[4-Methyl-4-(methylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103209698
1-(4,4-Difluoropiperidin-1-yl)-2-morpholin-3-ylethanone
CID 116991142
1-(3,3-Difluoropiperidin-1-yl)-2-morpholin-3-ylethanone
CID 116991496
2-Morpholin-3-yl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
CID 121610756
2-morpholin-3-yl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 121745449
2-morpholin-3-yl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 121745450

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)ethanone (CID 88544987) is 2,2,2-trifluoro-1-(4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)ethanone is O=C(N1CCOCC12CCNCC2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)ethanone?
The InChIKey is QVOPAZUGXWGWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c11-10(12,13)8(16)15-5-6-17-7-9(15)1-3-14-4-2-9/h14H,1-7H2.
What are the key properties of 2,2,2-trifluoro-1-(4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)ethanone?
2,2,2-trifluoro-1-(4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)ethanone has a molecular weight of 252.24 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)ethanone is sourced from PubChem (CID 88544987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).