tert-butyl 2-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate

C20H28F2N2O2 — CID 71076523

IUPACtert-butyl 2-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CCN(Cc3ccc(F)c(F)c3)C2)C1
InChIInChI=1S/C20H28F2N2O2/c1-19(2,3)26-18(25)24-9-4-7-20(14-24)8-10-23(13-20)12-15-5-6-16(21)17(22)11-15/h5-6,11H,4,7-10,12-14H2,1-3H3
InChIKeyQFYZMHPXSZMZSF-UHFFFAOYSA-N
MW366.45 g/mol
LogP4.19
Rot. Bonds2

About tert-butyl 2-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate

tert-butyl 2-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 71076523) has the molecular formula C20H28F2N2O2 and a molecular weight of 366.45 g/mol. Its IUPAC name is tert-butyl 2-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID71076523
Molecular FormulaC20H28F2N2O2
Molecular Weight366.45 g/mol
Exact Mass366.21
IUPAC Nametert-butyl 2-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CCN(Cc3ccc(F)c(F)c3)C2)C1
InChIInChI=1S/C20H28F2N2O2/c1-19(2,3)26-18(25)24-9-4-7-20(14-24)8-10-23(13-20)12-15-5-6-16(21)17(22)11-15/h5-6,11H,4,7-10,12-14H2,1-3H3
InChIKeyQFYZMHPXSZMZSF-UHFFFAOYSA-N
XLogP4.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate 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 tert-butyl 2-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of tert-butyl 2-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 71076523) is tert-butyl 2-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for tert-butyl 2-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate is CC(C)(C)OC(=O)N1CCCC2(CCN(Cc3ccc(F)c(F)c3)C2)C1.
What is the InChIKey of tert-butyl 2-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is QFYZMHPXSZMZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O2/c1-19(2,3)26-18(25)24-9-4-7-20(14-24)8-10-23(13-20)12-15-5-6-16(21)17(22)11-15/h5-6,11H,4,7-10,12-14H2,1-3H3.
What are the key properties of tert-butyl 2-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
tert-butyl 2-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 366.45 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 71076523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).