1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one

C18H28F2N2O2 — CID 118546632

IUPAC1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one
SMILESCC(F)(F)CCC(=O)N1CCC2(CC1)CC(C1CCCCC1)=NO2
InChIInChI=1S/C18H28F2N2O2/c1-17(19,20)8-7-16(23)22-11-9-18(10-12-22)13-15(21-24-18)14-5-3-2-4-6-14/h14H,2-13H2,1H3
InChIKeyIEDGCORRBVKUPX-UHFFFAOYSA-N
MW342.43 g/mol
LogP4.14
Rot. Bonds4

About 1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one

1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one (PubChem CID 118546632) has the molecular formula C18H28F2N2O2 and a molecular weight of 342.43 g/mol. Its IUPAC name is 1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one.

Molecular Properties

Compound Name1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one
PubChem CID118546632
Molecular FormulaC18H28F2N2O2
Molecular Weight342.43 g/mol
Exact Mass342.21
IUPAC Name1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one
SMILESCC(F)(F)CCC(=O)N1CCC2(CC1)CC(C1CCCCC1)=NO2
InChIInChI=1S/C18H28F2N2O2/c1-17(19,20)8-7-16(23)22-11-9-18(10-12-22)13-15(21-24-18)14-5-3-2-4-6-14/h14H,2-13H2,1H3
InChIKeyIEDGCORRBVKUPX-UHFFFAOYSA-N
XLogP4.14
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one?
The IUPAC name of 1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one (CID 118546632) is 1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one.
What is the SMILES notation for 1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one?
The canonical SMILES for 1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one is CC(F)(F)CCC(=O)N1CCC2(CC1)CC(C1CCCCC1)=NO2.
What is the InChIKey of 1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one?
The InChIKey is IEDGCORRBVKUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2N2O2/c1-17(19,20)8-7-16(23)22-11-9-18(10-12-22)13-15(21-24-18)14-5-3-2-4-6-14/h14H,2-13H2,1H3.
What are the key properties of 1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one?
1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one has a molecular weight of 342.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-4,4-difluoropentan-1-one is sourced from PubChem (CID 118546632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).