tert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate

C15H23F2NO2 — CID 154707770

IUPACtert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
SMILESCC1C(F)(F)C12CC1CCC(C2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23F2NO2/c1-9-14(15(9,16)17)7-10-5-6-11(8-14)18(10)12(19)20-13(2,3)4/h9-11H,5-8H2,1-4H3
InChIKeyRJTOEMYZMOFFRU-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.82
Rot. Bonds

About tert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate

tert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate (PubChem CID 154707770) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is tert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
PubChem CID154707770
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Nametert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
SMILESCC1C(F)(F)C12CC1CCC(C2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23F2NO2/c1-9-14(15(9,16)17)7-10-5-6-11(8-14)18(10)12(19)20-13(2,3)4/h9-11H,5-8H2,1-4H3
InChIKeyRJTOEMYZMOFFRU-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate with MolForge

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Related Compounds

Tert-butyl 11,11-difluoro-8-azadispiro[3.0.55.14]undecane-8-carboxylate
CID 134938626
Tert-butyl 1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
CID 154707769
Tert-butyl 1',1'-difluoro-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
CID 154707771
Tert-butyl 3'-cyclopropyl-1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
CID 154707772
Tert-butyl 1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
CID 154707773
CID 154707774
CID 154707774
CID 154707775
CID 154707775
Trifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59598940
2,2,2-Trifluoroethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59598944
2-Fluoroethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59598957
2,2-Difluoroethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59598971
2-Fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59614164

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate?
The IUPAC name of tert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate (CID 154707770) is tert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate.
What is the SMILES notation for tert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate?
The canonical SMILES for tert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate is CC1C(F)(F)C12CC1CCC(C2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate?
The InChIKey is RJTOEMYZMOFFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-9-14(15(9,16)17)7-10-5-6-11(8-14)18(10)12(19)20-13(2,3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of tert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate?
tert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate has a molecular weight of 287.35 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate is sourced from PubChem (CID 154707770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).