tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride

C13H23ClF2N2O2 — CID 115053505

IUPACtert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)NCCC2(F)F.Cl
InChIInChI=1S/C13H22F2N2O2.ClH/c1-11(2,3)19-10(18)17-8-5-12(6-9-17)13(14,15)4-7-16-12;/h16H,4-9H2,1-3H3;1H
InChIKeyBXPACZZCOIVHSD-UHFFFAOYSA-N
MW312.79 g/mol
LogP2.81
Rot. Bonds

About tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride

tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride (PubChem CID 115053505) has the molecular formula C13H23ClF2N2O2 and a molecular weight of 312.79 g/mol. Its IUPAC name is tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride
PubChem CID115053505
Molecular FormulaC13H23ClF2N2O2
Molecular Weight312.79 g/mol
Exact Mass312.14
IUPAC Nametert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)NCCC2(F)F.Cl
InChIInChI=1S/C13H22F2N2O2.ClH/c1-11(2,3)19-10(18)17-8-5-12(6-9-17)13(14,15)4-7-16-12;/h16H,4-9H2,1-3H3;1H
InChIKeyBXPACZZCOIVHSD-UHFFFAOYSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.79
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 4-carbonochloridoyl-4-fluoropiperidine-1-carboxylate
CID 59658463
tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate
CID 25212666
tert-butyl 3,3-dimethoxypyrrolidine-1-carboxylate;methanol
CID 156848744
tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride
CID 91828194
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 3-carbonochloridoyl-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 142473443
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl 4-carbonofluoridoyl-4-methylpiperidine-1-carboxylate
CID 145108017
tert-butyl 4-isocyano-4-methylsulfanylpiperidine-1-carboxylate
CID 158931018
tert-butyl 4-formyl-4-propoxypiperidine-1-carboxylate
CID 165494987
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride (CID 115053505) is tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCC2(CC1)NCCC2(F)F.Cl.
What is the InChIKey of tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride?
The InChIKey is BXPACZZCOIVHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2.ClH/c1-11(2,3)19-10(18)17-8-5-12(6-9-17)13(14,15)4-7-16-12;/h16H,4-9H2,1-3H3;1H.
What are the key properties of tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride?
tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride has a molecular weight of 312.79 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride is sourced from PubChem (CID 115053505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).