tert-butyl 11-(difluoromethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate

C15H26F2N2O2 — CID 71305516

IUPACtert-butyl 11-(difluoromethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCNCC2C(F)F)CC1
InChIInChI=1S/C15H26F2N2O2/c1-14(2,3)21-13(20)19-8-5-15(6-9-19)4-7-18-10-11(15)12(16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyAJRFIVZQGWDQHR-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.88
Rot. Bonds1

About tert-butyl 11-(difluoromethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate

tert-butyl 11-(difluoromethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 71305516) has the molecular formula C15H26F2N2O2 and a molecular weight of 304.38 g/mol. Its IUPAC name is tert-butyl 11-(difluoromethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 11-(difluoromethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID71305516
Molecular FormulaC15H26F2N2O2
Molecular Weight304.38 g/mol
Exact Mass304.20
IUPAC Nametert-butyl 11-(difluoromethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCNCC2C(F)F)CC1
InChIInChI=1S/C15H26F2N2O2/c1-14(2,3)21-13(20)19-8-5-15(6-9-19)4-7-18-10-11(15)12(16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyAJRFIVZQGWDQHR-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 15296367
4,4'-Bipiperidine, 1-boc protected
CID 11747599
Tert-butyl (4,4'-bipiperidine)-1-carboxylate hydrochloride
CID 19349778
tert-Butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate
CID 23435803
tert-Butyl 2,9-diazaspiro(5.5)undecane-9-carboxylate
CID 46912008
Tert-butyl 6,6-difluoro-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 49761220
Tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate hydrochloride
CID 67269440
Tert-butyl 3-(aminomethyl)-4,4-difluoropiperidine-1-carboxylate
CID 67373803
Tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate hydrochloride
CID 71464197
Tert-butyl 4-(piperidin-3-yl)piperidine-1-carboxylate
CID 82379479
Tert-butyl 3-(piperidin-4-yl)piperidine-1-carboxylate
CID 82379481
Tert-butyl 6,6-difluoro-2,8-diazaspiro(4.5)decane-2-carboxylate
CID 83670284

Frequently Asked Questions

What is the IUPAC name of tert-butyl 11-(difluoromethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of tert-butyl 11-(difluoromethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 71305516) is tert-butyl 11-(difluoromethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for tert-butyl 11-(difluoromethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for tert-butyl 11-(difluoromethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCNCC2C(F)F)CC1.
What is the InChIKey of tert-butyl 11-(difluoromethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is AJRFIVZQGWDQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O2/c1-14(2,3)21-13(20)19-8-5-15(6-9-19)4-7-18-10-11(15)12(16)17/h11-12,18H,4-10H2,1-3H3.
What are the key properties of tert-butyl 11-(difluoromethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
tert-butyl 11-(difluoromethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 304.38 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 11-(difluoromethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 71305516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).