benzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

C15H18FNO4 — CID 90177792

IUPACbenzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(OCCO2)C(F)C1
InChIInChI=1S/C15H18FNO4/c16-13-10-17(7-6-15(13)20-8-9-21-15)14(18)19-11-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyHPVOPVHQSMNLDD-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.11
Rot. Bonds2

About benzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

benzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 90177792) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is benzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Namebenzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID90177792
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Namebenzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(OCCO2)C(F)C1
InChIInChI=1S/C15H18FNO4/c16-13-10-17(7-6-15(13)20-8-9-21-15)14(18)19-11-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyHPVOPVHQSMNLDD-UHFFFAOYSA-N
XLogP2.11
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate
CID 90183749
benzyl 6-(anilinomethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 20598083
benzyl (3S,4R)-4-(aminomethyl)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 125117327
benzyl (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine-1-carboxylate
CID 90183765
benzyl (6S,11S)-4-cyclopropyl-11-fluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 90033042
benzyl (1R,6R)-6-methyl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124746111
benzyl 3-fluoro-4-hydroxyazocane-1-carboxylate
CID 122547417
benzyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate;benzyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 154809529
benzyl (3R)-1-oxa-6-azaspiro[2.4]heptane-6-carboxylate
CID 97169066
(4-phenylmethoxycarbonylmorpholin-2-yl)methanesulfinic acid
CID 165453803
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (3S)-3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 124634406

Frequently Asked Questions

What is the IUPAC name of benzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of benzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (CID 90177792) is benzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for benzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for benzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is O=C(OCc1ccccc1)N1CCC2(OCCO2)C(F)C1.
What is the InChIKey of benzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is HPVOPVHQSMNLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c16-13-10-17(7-6-15(13)20-8-9-21-15)14(18)19-11-12-4-2-1-3-5-12/h1-5,13H,6-11H2.
What are the key properties of benzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
benzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 295.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 90177792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).