benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate

C15H18F2N2O2 — CID 135393291

IUPACbenzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate
SMILESO=C(OCc1ccccc1)N1CC2(CCNCC2(F)F)C1
InChIInChI=1S/C15H18F2N2O2/c16-15(17)9-18-7-6-14(15)10-19(11-14)13(20)21-8-12-4-2-1-3-5-12/h1-5,18H,6-11H2
InChIKeyWEJZMGBFEHQMIZ-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.25
Rot. Bonds2

About benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate

benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate (PubChem CID 135393291) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Namebenzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate
PubChem CID135393291
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Namebenzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate
SMILESO=C(OCc1ccccc1)N1CC2(CCNCC2(F)F)C1
InChIInChI=1S/C15H18F2N2O2/c16-15(17)9-18-7-6-14(15)10-19(11-14)13(20)21-8-12-4-2-1-3-5-12/h1-5,18H,6-11H2
InChIKeyWEJZMGBFEHQMIZ-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3,3-difluoro-6-azaspiro[3.4]octane-6-carboxylate
CID 155144869
benzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 117272543
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416
benzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride
CID 131871557
benzyl 3-fluoro-3-formylazetidine-1-carboxylate
CID 105498785
benzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 155892862
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl 5,5-difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 137432971
benzyl 3,3-dimethylpiperazine-1-carboxylate
CID 51358536
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
6-O-benzyl 2-O-tert-butyl 8-fluoro-8-(hydroxymethyl)-2,6-diazaspiro[3.4]octane-2,6-dicarboxylate
CID 155893237
benzyl (4S)-1-oxa-7-azaspiro[3.4]octane-7-carboxylate;methanol;(4S)-1-oxa-7-azaspiro[3.4]octane
CID 157316981

Frequently Asked Questions

What is the IUPAC name of benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate (CID 135393291) is benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate is O=C(OCc1ccccc1)N1CC2(CCNCC2(F)F)C1.
What is the InChIKey of benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The InChIKey is WEJZMGBFEHQMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c16-15(17)9-18-7-6-14(15)10-19(11-14)13(20)21-8-12-4-2-1-3-5-12/h1-5,18H,6-11H2.
What are the key properties of benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate?
benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate has a molecular weight of 296.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 135393291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).