4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-naphthalen-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4-methyl-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one

C117H152F7N13O14 — CID 159961642

IUPAC4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-naphthalen-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4-methyl-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCC2(CC1)CC(c1ccc(C(C)C)cc1)=NO2.CC(C)CCC(=O)N1CCC2(CC1)CC(c1ccc(OC(F)(F)F)cc1)=NO2.CC(C)CCC(=O)N1CCC2(CC1)CC(c1ccc3ccccc3c1)=NO2.CC(C)CCC(=O)N1CCC2(CC1)CC(c1ccccc1)=NO2.CC(F)(F)CCC(=O)N1CCC2(CC1)CC(c1ccccn1)=NO2.CC(F)(F)CCC(=O)N1CCC2(CC1)CC(c1ccco1)=NO2
InChIInChI=1S/C23H28N2O2.C22H32N2O2.C20H25F3N2O3.C19H26N2O2.C17H21F2N3O2.C16H20F2N2O3/c1-17(2)7-10-22(26)25-13-11-23(12-14-25)16-21(24-27-23)20-9-8-18-5-3-4-6-19(18)15-20;1-16(2)5-10-21(25)24-13-11-22(12-14-24)15-20(23-26-22)19-8-6-18(7-9-19)17(3)4;1-14(2)3-8-18(26)25-11-9-19(10-12-25)13-17(24-28-19)15-4-6-16(7-5-15)27-20(21,22)23;1-15(2)8-9-18(22)21-12-10-19(11-13-21)14-17(20-23-19)16-6-4-3-5-7-16;1-16(18,19)6-5-15(23)22-10-7-17(8-11-22)12-14(21-24-17)13-4-2-3-9-20-13;1-15(17,18)5-4-14(21)20-8-6-16(7-9-20)11-12(19-23-16)13-3-2-10-22-13/h3-6,8-9,15,17H,7,10-14,16H2,1-2H3;6-9,16-17H,5,10-15H2,1-4H3;4-7,14H,3,8-13H2,1-2H3;3-7,15H,8-14H2,1-2H3;2-4,9H,5-8,10-12H2,1H3;2-3,10H,4-9,11H2,1H3
InChIKeyODKFWWCIRPBBMT-UHFFFAOYSA-N
MW2097.57 g/mol
LogP23.81
Rot. Bonds26

About 4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-naphthalen-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4-methyl-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one

4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-naphthalen-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4-methyl-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one (PubChem CID 159961642) has the molecular formula C117H152F7N13O14 and a molecular weight of 2097.57 g/mol. Its IUPAC name is 4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-naphthalen-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4-methyl-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one.

Molecular Properties

Compound Name4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-naphthalen-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4-methyl-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one
PubChem CID159961642
Molecular FormulaC117H152F7N13O14
Molecular Weight2097.57 g/mol
Exact Mass2096.15
IUPAC Name4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-naphthalen-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4-methyl-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCC2(CC1)CC(c1ccc(C(C)C)cc1)=NO2.CC(C)CCC(=O)N1CCC2(CC1)CC(c1ccc(OC(F)(F)F)cc1)=NO2.CC(C)CCC(=O)N1CCC2(CC1)CC(c1ccc3ccccc3c1)=NO2.CC(C)CCC(=O)N1CCC2(CC1)CC(c1ccccc1)=NO2.CC(F)(F)CCC(=O)N1CCC2(CC1)CC(c1ccccn1)=NO2.CC(F)(F)CCC(=O)N1CCC2(CC1)CC(c1ccco1)=NO2
InChIInChI=1S/C23H28N2O2.C22H32N2O2.C20H25F3N2O3.C19H26N2O2.C17H21F2N3O2.C16H20F2N2O3/c1-17(2)7-10-22(26)25-13-11-23(12-14-25)16-21(24-27-23)20-9-8-18-5-3-4-6-19(18)15-20;1-16(2)5-10-21(25)24-13-11-22(12-14-24)15-20(23-26-22)19-8-6-18(7-9-19)17(3)4;1-14(2)3-8-18(26)25-11-9-19(10-12-25)13-17(24-28-19)15-4-6-16(7-5-15)27-20(21,22)23;1-15(2)8-9-18(22)21-12-10-19(11-13-21)14-17(20-23-19)16-6-4-3-5-7-16;1-16(18,19)6-5-15(23)22-10-7-17(8-11-22)12-14(21-24-17)13-4-2-3-9-20-13;1-15(17,18)5-4-14(21)20-8-6-16(7-9-20)11-12(19-23-16)13-3-2-10-22-13/h3-6,8-9,15,17H,7,10-14,16H2,1-2H3;6-9,16-17H,5,10-15H2,1-4H3;4-7,14H,3,8-13H2,1-2H3;3-7,15H,8-14H2,1-2H3;2-4,9H,5-8,10-12H2,1H3;2-3,10H,4-9,11H2,1H3
InChIKeyODKFWWCIRPBBMT-UHFFFAOYSA-N
XLogP23.81
TPSA286.66 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002097.57
LogP ≤ 523.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-naphthalen-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4-methyl-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-naphthalen-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4-methyl-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one?
The IUPAC name of 4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-naphthalen-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4-methyl-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one (CID 159961642) is 4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-naphthalen-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4-methyl-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one.
What is the SMILES notation for 4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-naphthalen-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4-methyl-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one?
The canonical SMILES for 4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-naphthalen-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4-methyl-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one is CC(C)CCC(=O)N1CCC2(CC1)CC(c1ccc(C(C)C)cc1)=NO2.CC(C)CCC(=O)N1CCC2(CC1)CC(c1ccc(OC(F)(F)F)cc1)=NO2.CC(C)CCC(=O)N1CCC2(CC1)CC(c1ccc3ccccc3c1)=NO2.CC(C)CCC(=O)N1CCC2(CC1)CC(c1ccccc1)=NO2.CC(F)(F)CCC(=O)N1CCC2(CC1)CC(c1ccccn1)=NO2.CC(F)(F)CCC(=O)N1CCC2(CC1)CC(c1ccco1)=NO2.
What is the InChIKey of 4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-naphthalen-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4-methyl-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one?
The InChIKey is ODKFWWCIRPBBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2.C22H32N2O2.C20H25F3N2O3.C19H26N2O2.C17H21F2N3O2.C16H20F2N2O3/c1-17(2)7-10-22(26)25-13-11-23(12-14-25)16-21(24-27-23)20-9-8-18-5-3-4-6-19(18)15-20;1-16(2)5-10-21(25)24-13-11-22(12-14-24)15-20(23-26-22)19-8-6-18(7-9-19)17(3)4;1-14(2)3-8-18(26)25-11-9-19(10-12-25)13-17(24-28-19)15-4-6-16(7-5-15)27-20(21,22)23;1-15(2)8-9-18(22)21-12-10-19(11-13-21)14-17(20-23-19)16-6-4-3-5-7-16;1-16(18,19)6-5-15(23)22-10-7-17(8-11-22)12-14(21-24-17)13-4-2-3-9-20-13;1-15(17,18)5-4-14(21)20-8-6-16(7-9-20)11-12(19-23-16)13-3-2-10-22-13/h3-6,8-9,15,17H,7,10-14,16H2,1-2H3;6-9,16-17H,5,10-15H2,1-4H3;4-7,14H,3,8-13H2,1-2H3;3-7,15H,8-14H2,1-2H3;2-4,9H,5-8,10-12H2,1H3;2-3,10H,4-9,11H2,1H3.
What are the key properties of 4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-naphthalen-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4-methyl-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one?
4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-naphthalen-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4-methyl-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one has a molecular weight of 2097.57 g/mol, XLogP of 23.81, 26 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[3-(furan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4,4-difluoro-1-(3-pyridin-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-naphthalen-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)pentan-1-one;4-methyl-1-[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one;4-methyl-1-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]pentan-1-one is sourced from PubChem (CID 159961642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).