(8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane

C10H18FNO — CID 166567470

IUPAC(8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane
SMILESCC(C)(C)N1CC2(C1)OCC[C@H]2F
InChIInChI=1S/C10H18FNO/c1-9(2,3)12-6-10(7-12)8(11)4-5-13-10/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyINFJVRWBJBQPRE-MRVPVSSYSA-N
MW187.26 g/mol
LogP1.60
Rot. Bonds

About (8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane

(8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane (PubChem CID 166567470) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane
PubChem CID166567470
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane
SMILESCC(C)(C)N1CC2(C1)OCC[C@H]2F
InChIInChI=1S/C10H18FNO/c1-9(2,3)12-6-10(7-12)8(11)4-5-13-10/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyINFJVRWBJBQPRE-MRVPVSSYSA-N
XLogP1.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4R)-4-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 139364341
(2S,4S)-4-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 139364344
(2R,3S)-3-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 146652234
(4R)-4-fluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 146652242
3-Fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 146652246
(2S,4R)-4-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 146652249
4-Fluoro-2-(methoxymethyl)-1,2-dimethylpyrrolidine
CID 146652769
4-Fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 146652774
(2S)-4-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 147711250
4,4-Difluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 153500953
4-Fluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 153500964
(4R)-4-fluoro-2-(methoxymethyl)-1,2-dimethylpyrrolidine
CID 153584785

Frequently Asked Questions

What is the IUPAC name of (8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane (CID 166567470) is (8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane is CC(C)(C)N1CC2(C1)OCC[C@H]2F.
What is the InChIKey of (8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is INFJVRWBJBQPRE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-9(2,3)12-6-10(7-12)8(11)4-5-13-10/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane?
(8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 187.26 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 166567470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).