8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one

C20H23F3N2O2 — CID 131691598

IUPAC8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C(C1CC(F)(F)C1)N1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H23F3N2O2/c21-16-3-1-2-14(10-16)13-25-17(26)4-5-19(25)6-8-24(9-7-19)18(27)15-11-20(22,23)12-15/h1-3,10,15H,4-9,11-13H2
InChIKeyCCGRBSSRVDOHQE-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.35
Rot. Bonds3

About 8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one

8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131691598) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131691598
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C(C1CC(F)(F)C1)N1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H23F3N2O2/c21-16-3-1-2-14(10-16)13-25-17(26)4-5-19(25)6-8-24(9-7-19)18(27)15-11-20(22,23)12-15/h1-3,10,15H,4-9,11-13H2
InChIKeyCCGRBSSRVDOHQE-UHFFFAOYSA-N
XLogP3.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one (CID 131691598) is 8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one is O=C(C1CC(F)(F)C1)N1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1.
What is the InChIKey of 8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CCGRBSSRVDOHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c21-16-3-1-2-14(10-16)13-25-17(26)4-5-19(25)6-8-24(9-7-19)18(27)15-11-20(22,23)12-15/h1-3,10,15H,4-9,11-13H2.
What are the key properties of 8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 380.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131691598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).