methane;molecular fluorine;4-oxa-6-azaspiro[2.4]hept-5-ene;hydrofluoride

C6H12F7NO — CID 162021633

IUPACmethane;molecular fluorine;4-oxa-6-azaspiro[2.4]hept-5-ene;hydrofluoride
SMILESC.C1=NCC2(CC2)O1.F.FF.FF.FF
InChIInChI=1S/C5H7NO.CH4.3F2.FH/c1-2-5(1)3-6-4-7-5;;3*1-2;/h4H,1-3H2;1H4;;;;1H
InChIKeyYUVALWXDRDZEGQ-UHFFFAOYSA-N
MW247.15 g/mol
LogP3.89
Rot. Bonds

About methane;molecular fluorine;4-oxa-6-azaspiro[2.4]hept-5-ene;hydrofluoride

methane;molecular fluorine;4-oxa-6-azaspiro[2.4]hept-5-ene;hydrofluoride (PubChem CID 162021633) has the molecular formula C6H12F7NO and a molecular weight of 247.15 g/mol. Its IUPAC name is methane;molecular fluorine;4-oxa-6-azaspiro[2.4]hept-5-ene;hydrofluoride.

Molecular Properties

Compound Namemethane;molecular fluorine;4-oxa-6-azaspiro[2.4]hept-5-ene;hydrofluoride
PubChem CID162021633
Molecular FormulaC6H12F7NO
Molecular Weight247.15 g/mol
Exact Mass247.08
IUPAC Namemethane;molecular fluorine;4-oxa-6-azaspiro[2.4]hept-5-ene;hydrofluoride
SMILESC.C1=NCC2(CC2)O1.F.FF.FF.FF
InChIInChI=1S/C5H7NO.CH4.3F2.FH/c1-2-5(1)3-6-4-7-5;;3*1-2;/h4H,1-3H2;1H4;;;;1H
InChIKeyYUVALWXDRDZEGQ-UHFFFAOYSA-N
XLogP3.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;molecular fluorine;4-oxa-6-azaspiro[2.4]hept-5-ene;hydrofluoride?
The IUPAC name of methane;molecular fluorine;4-oxa-6-azaspiro[2.4]hept-5-ene;hydrofluoride (CID 162021633) is methane;molecular fluorine;4-oxa-6-azaspiro[2.4]hept-5-ene;hydrofluoride.
What is the SMILES notation for methane;molecular fluorine;4-oxa-6-azaspiro[2.4]hept-5-ene;hydrofluoride?
The canonical SMILES for methane;molecular fluorine;4-oxa-6-azaspiro[2.4]hept-5-ene;hydrofluoride is C.C1=NCC2(CC2)O1.F.FF.FF.FF.
What is the InChIKey of methane;molecular fluorine;4-oxa-6-azaspiro[2.4]hept-5-ene;hydrofluoride?
The InChIKey is YUVALWXDRDZEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.CH4.3F2.FH/c1-2-5(1)3-6-4-7-5;;3*1-2;/h4H,1-3H2;1H4;;;;1H.
What are the key properties of methane;molecular fluorine;4-oxa-6-azaspiro[2.4]hept-5-ene;hydrofluoride?
methane;molecular fluorine;4-oxa-6-azaspiro[2.4]hept-5-ene;hydrofluoride has a molecular weight of 247.15 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;molecular fluorine;4-oxa-6-azaspiro[2.4]hept-5-ene;hydrofluoride is sourced from PubChem (CID 162021633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).