7,7-difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one

C15H22F2N2O3 — CID 131694465

IUPAC7,7-difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(CC1CCOCC1)N1CC(F)(F)CC2(CCNC2=O)C1
InChIInChI=1S/C15H22F2N2O3/c16-15(17)8-14(3-4-18-13(14)21)9-19(10-15)12(20)7-11-1-5-22-6-2-11/h11H,1-10H2,(H,18,21)
InChIKeyHGOSMFNRBWYADJ-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.18
Rot. Bonds2

About 7,7-difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one

7,7-difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131694465) has the molecular formula C15H22F2N2O3 and a molecular weight of 316.35 g/mol. Its IUPAC name is 7,7-difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name7,7-difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131694465
Molecular FormulaC15H22F2N2O3
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Name7,7-difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(CC1CCOCC1)N1CC(F)(F)CC2(CCNC2=O)C1
InChIInChI=1S/C15H22F2N2O3/c16-15(17)8-14(3-4-18-13(14)21)9-19(10-15)12(20)7-11-1-5-22-6-2-11/h11H,1-10H2,(H,18,21)
InChIKeyHGOSMFNRBWYADJ-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(8-Oxa-2-azaspiro[4.5]decane-4-carbonyl)piperazin-2-one
CID 110876620
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N-methyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
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2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
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(3S)-1-[3-[(3R)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 99792010
(3R)-1-[3-[(3R)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
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(3R)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 100616393
(3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 100616412
1-[3-(oxolan-3-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 102562479
[3-(Methoxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106586804
2,2,2-trifluoro-N-[[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]methyl]acetamide
CID 108932944
(3S,4S)-1-[2-methyl-2-(oxan-4-yl)propanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 7,7-difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one (CID 131694465) is 7,7-difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 7,7-difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 7,7-difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one is O=C(CC1CCOCC1)N1CC(F)(F)CC2(CCNC2=O)C1.
What is the InChIKey of 7,7-difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is HGOSMFNRBWYADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O3/c16-15(17)8-14(3-4-18-13(14)21)9-19(10-15)12(20)7-11-1-5-22-6-2-11/h11H,1-10H2,(H,18,21).
What are the key properties of 7,7-difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one?
7,7-difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 316.35 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-9-[2-(oxan-4-yl)acetyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131694465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).