benzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride

C15H19ClF2N2O2 — CID 131871557

IUPACbenzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)N1CC(F)(F)C12CCCNC2
InChIInChI=1S/C15H18F2N2O2.ClH/c16-15(17)11-19(14(15)7-4-8-18-10-14)13(20)21-9-12-5-2-1-3-6-12;/h1-3,5-6,18H,4,7-11H2;1H
InChIKeyFBJKBSNWVMNAMI-UHFFFAOYSA-N
MW332.78 g/mol
LogP2.82
Rot. Bonds2

About benzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride

benzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride (PubChem CID 131871557) has the molecular formula C15H19ClF2N2O2 and a molecular weight of 332.78 g/mol. Its IUPAC name is benzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride
PubChem CID131871557
Molecular FormulaC15H19ClF2N2O2
Molecular Weight332.78 g/mol
Exact Mass332.11
IUPAC Namebenzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)N1CC(F)(F)C12CCCNC2
InChIInChI=1S/C15H18F2N2O2.ClH/c16-15(17)11-19(14(15)7-4-8-18-10-14)13(20)21-9-12-5-2-1-3-6-12;/h1-3,5-6,18H,4,7-11H2;1H
InChIKeyFBJKBSNWVMNAMI-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride
CID 78357894
benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 135393291
benzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate
CID 71741476
benzyl N-(3-methylpiperidin-3-yl)-N-(4-nitrophenyl)carbamate
CID 71227267
(3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 124673479
benzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 117272543
benzyl 3,3-dimethylpiperazine-1-carboxylate
CID 51358536
3-O'-benzyl 3-O-ethyl piperidine-3,3-dicarboxylate
CID 22078511
(3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 155904367
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl 2,2-diphenylpyrrolidine-1-carboxylate
CID 166443554

Frequently Asked Questions

What is the IUPAC name of benzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride?
The IUPAC name of benzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride (CID 131871557) is benzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride.
What is the SMILES notation for benzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride?
The canonical SMILES for benzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride is Cl.O=C(OCc1ccccc1)N1CC(F)(F)C12CCCNC2.
What is the InChIKey of benzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride?
The InChIKey is FBJKBSNWVMNAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2.ClH/c16-15(17)11-19(14(15)7-4-8-18-10-14)13(20)21-9-12-5-2-1-3-6-12;/h1-3,5-6,18H,4,7-11H2;1H.
What are the key properties of benzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride?
benzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride has a molecular weight of 332.78 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride is sourced from PubChem (CID 131871557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).