tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate

C14H24FNO3 — CID 155896173

IUPACtert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CC1)CC(F)CO2
InChIInChI=1S/C14H24FNO3/c1-13(2,3)19-12(17)16-7-4-5-14(6-8-16)9-11(15)10-18-14/h11H,4-10H2,1-3H3
InChIKeyZGTQMBDDISNIQA-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.90
Rot. Bonds

About tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate

tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate (PubChem CID 155896173) has the molecular formula C14H24FNO3 and a molecular weight of 273.35 g/mol. Its IUPAC name is tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate
PubChem CID155896173
Molecular FormulaC14H24FNO3
Molecular Weight273.35 g/mol
Exact Mass273.17
IUPAC Nametert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CC1)CC(F)CO2
InChIInChI=1S/C14H24FNO3/c1-13(2,3)19-12(17)16-7-4-5-14(6-8-16)9-11(15)10-18-14/h11H,4-10H2,1-3H3
InChIKeyZGTQMBDDISNIQA-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-bromo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 41417340
(3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid
CID 97111514
tert-butyl 3-formyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 171372841
tert-butyl 3-(ethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 170119756
tert-butyl 3-(N'-hydroxycarbamimidoyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 86657867
tert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate
CID 129069930
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 171919158
tert-butyl (2R)-2-(hydroxymethyl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
CID 94863807
tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 22975821
tert-butyl (2R)-2-formyl-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
CID 97305329
tert-butyl 4-(hydroxymethyl)-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate
CID 165443899

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate (CID 155896173) is tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate is CC(C)(C)OC(=O)N1CCCC2(CC1)CC(F)CO2.
What is the InChIKey of tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate?
The InChIKey is ZGTQMBDDISNIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO3/c1-13(2,3)19-12(17)16-7-4-5-14(6-8-16)9-11(15)10-18-14/h11H,4-10H2,1-3H3.
What are the key properties of tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate?
tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate has a molecular weight of 273.35 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate is sourced from PubChem (CID 155896173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).