(8S)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane

C9H16FNO — CID 167292236

IUPAC(8S)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
SMILESCC(C)N1CC2(C1)OCC[C@@H]2F
InChIInChI=1S/C9H16FNO/c1-7(2)11-5-9(6-11)8(10)3-4-12-9/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyBQVCLOMKMNLDOI-QMMMGPOBSA-N
MW173.23 g/mol
LogP1.21
Rot. Bonds1

About (8S)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane

(8S)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane (PubChem CID 167292236) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (8S)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(8S)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
PubChem CID167292236
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(8S)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
SMILESCC(C)N1CC2(C1)OCC[C@@H]2F
InChIInChI=1S/C9H16FNO/c1-7(2)11-5-9(6-11)8(10)3-4-12-9/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyBQVCLOMKMNLDOI-QMMMGPOBSA-N
XLogP1.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.21
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)-1-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 140929377
(2R)-1-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 140929469
(2R)-4,4-difluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 141637856
(2S)-4,4-difluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 141637993
(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
(2S)-1-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 146652770
4-Fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 146652774

Frequently Asked Questions

What is the IUPAC name of (8S)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (8S)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane (CID 167292236) is (8S)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (8S)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (8S)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane is CC(C)N1CC2(C1)OCC[C@@H]2F.
What is the InChIKey of (8S)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is BQVCLOMKMNLDOI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16FNO/c1-7(2)11-5-9(6-11)8(10)3-4-12-9/h7-8H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (8S)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane?
(8S)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 173.23 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 167292236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).