1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one

C15H22F2N2O2 — CID 131684089

IUPAC1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC2(C1)CN(C(=O)C1CC(F)(F)C1)C2
InChIInChI=1S/C15H22F2N2O2/c1-10(2)12(20)18-4-3-14(7-18)8-19(9-14)13(21)11-5-15(16,17)6-11/h10-11H,3-9H2,1-2H3
InChIKeyZESSLANLDRIXIR-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.75
Rot. Bonds2

About 1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one

1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one (PubChem CID 131684089) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one
PubChem CID131684089
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC2(C1)CN(C(=O)C1CC(F)(F)C1)C2
InChIInChI=1S/C15H22F2N2O2/c1-10(2)12(20)18-4-3-14(7-18)8-19(9-14)13(21)11-5-15(16,17)6-11/h10-11H,3-9H2,1-2H3
InChIKeyZESSLANLDRIXIR-UHFFFAOYSA-N
XLogP1.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one (CID 131684089) is 1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC2(C1)CN(C(=O)C1CC(F)(F)C1)C2.
What is the InChIKey of 1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one?
The InChIKey is ZESSLANLDRIXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-10(2)12(20)18-4-3-14(7-18)8-19(9-14)13(21)11-5-15(16,17)6-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one?
1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one has a molecular weight of 300.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one is sourced from PubChem (CID 131684089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).