benzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C16H18F2N2O3 — CID 155892862

IUPACbenzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESO=C1CC2(CCN(C(=O)OCc3ccccc3)CC2(F)F)CN1
InChIInChI=1S/C16H18F2N2O3/c17-16(18)11-20(7-6-15(16)8-13(21)19-10-15)14(22)23-9-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,19,21)
InChIKeyYAMDQTHQPIXWNP-UHFFFAOYSA-N
MW324.33 g/mol
LogP2.17
Rot. Bonds2

About benzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

benzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 155892862) has the molecular formula C16H18F2N2O3 and a molecular weight of 324.33 g/mol. Its IUPAC name is benzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Namebenzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID155892862
Molecular FormulaC16H18F2N2O3
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Namebenzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESO=C1CC2(CCN(C(=O)OCc3ccccc3)CC2(F)F)CN1
InChIInChI=1S/C16H18F2N2O3/c17-16(18)11-20(7-6-15(16)8-13(21)19-10-15)14(22)23-9-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,19,21)
InChIKeyYAMDQTHQPIXWNP-UHFFFAOYSA-N
XLogP2.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.17
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 5,5-difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 137432971
benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 97169065
benzyl 2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 71649492
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 135393291
benzyl (3S)-3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 124634406
benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
CID 162726920
6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate
CID 71305336
3-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 19691484
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416
benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 102192246

Frequently Asked Questions

What is the IUPAC name of benzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of benzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 155892862) is benzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for benzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for benzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is O=C1CC2(CCN(C(=O)OCc3ccccc3)CC2(F)F)CN1.
What is the InChIKey of benzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is YAMDQTHQPIXWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O3/c17-16(18)11-20(7-6-15(16)8-13(21)19-10-15)14(22)23-9-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,19,21).
What are the key properties of benzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
benzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 324.33 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 155892862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).