ethane;ethanol;6-oxa-2-azaspiro[3.4]octane;dihydrofluoride

C12H31F2NO2 — CID 178038168

IUPACethane;ethanol;6-oxa-2-azaspiro[3.4]octane;dihydrofluoride
SMILESC1CC2(CNC2)CO1.CC.CC.CCO.F.F
InChIInChI=1S/C6H11NO.C2H6O.2C2H6.2FH/c1-2-8-5-6(1)3-7-4-6;1-2-3;2*1-2;;/h7H,1-5H2;3H,2H2,1H3;2*1-2H3;2*1H
InChIKeyVCEZDBATTYFOLP-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.35
Rot. Bonds

About ethane;ethanol;6-oxa-2-azaspiro[3.4]octane;dihydrofluoride

ethane;ethanol;6-oxa-2-azaspiro[3.4]octane;dihydrofluoride (PubChem CID 178038168) has the molecular formula C12H31F2NO2 and a molecular weight of 259.38 g/mol. Its IUPAC name is ethane;ethanol;6-oxa-2-azaspiro[3.4]octane;dihydrofluoride.

Molecular Properties

Compound Nameethane;ethanol;6-oxa-2-azaspiro[3.4]octane;dihydrofluoride
PubChem CID178038168
Molecular FormulaC12H31F2NO2
Molecular Weight259.38 g/mol
Exact Mass259.23
IUPAC Nameethane;ethanol;6-oxa-2-azaspiro[3.4]octane;dihydrofluoride
SMILESC1CC2(CNC2)CO1.CC.CC.CCO.F.F
InChIInChI=1S/C6H11NO.C2H6O.2C2H6.2FH/c1-2-8-5-6(1)3-7-4-6;1-2-3;2*1-2;;/h7H,1-5H2;3H,2H2,1H3;2*1-2H3;2*1H
InChIKeyVCEZDBATTYFOLP-UHFFFAOYSA-N
XLogP2.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;ethanol;6-oxa-2-azaspiro[3.4]octane;dihydrofluoride?
The IUPAC name of ethane;ethanol;6-oxa-2-azaspiro[3.4]octane;dihydrofluoride (CID 178038168) is ethane;ethanol;6-oxa-2-azaspiro[3.4]octane;dihydrofluoride.
What is the SMILES notation for ethane;ethanol;6-oxa-2-azaspiro[3.4]octane;dihydrofluoride?
The canonical SMILES for ethane;ethanol;6-oxa-2-azaspiro[3.4]octane;dihydrofluoride is C1CC2(CNC2)CO1.CC.CC.CCO.F.F.
What is the InChIKey of ethane;ethanol;6-oxa-2-azaspiro[3.4]octane;dihydrofluoride?
The InChIKey is VCEZDBATTYFOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H6O.2C2H6.2FH/c1-2-8-5-6(1)3-7-4-6;1-2-3;2*1-2;;/h7H,1-5H2;3H,2H2,1H3;2*1-2H3;2*1H.
What are the key properties of ethane;ethanol;6-oxa-2-azaspiro[3.4]octane;dihydrofluoride?
ethane;ethanol;6-oxa-2-azaspiro[3.4]octane;dihydrofluoride has a molecular weight of 259.38 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanol;6-oxa-2-azaspiro[3.4]octane;dihydrofluoride is sourced from PubChem (CID 178038168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).