7,7-difluoro-5-oxa-2-azoniaspiro[3.4]octane

C6H10F2NO+ — CID 166454570

IUPAC7,7-difluoro-5-oxa-2-azoniaspiro[3.4]octane
SMILESFC1(F)COC2(C[NH2+]C2)C1
InChIInChI=1S/C6H9F2NO/c7-6(8)1-5(10-4-6)2-9-3-5/h9H,1-4H2/p+1
InChIKeyGJAUUPPAJTVUHL-UHFFFAOYSA-O
MW150.15 g/mol
LogP-0.64
Rot. Bonds

About 7,7-difluoro-5-oxa-2-azoniaspiro[3.4]octane

7,7-difluoro-5-oxa-2-azoniaspiro[3.4]octane (PubChem CID 166454570) has the molecular formula C6H10F2NO+ and a molecular weight of 150.15 g/mol. Its IUPAC name is 7,7-difluoro-5-oxa-2-azoniaspiro[3.4]octane.

Molecular Properties

Compound Name7,7-difluoro-5-oxa-2-azoniaspiro[3.4]octane
PubChem CID166454570
Molecular FormulaC6H10F2NO+
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name7,7-difluoro-5-oxa-2-azoniaspiro[3.4]octane
SMILESFC1(F)COC2(C[NH2+]C2)C1
InChIInChI=1S/C6H9F2NO/c7-6(8)1-5(10-4-6)2-9-3-5/h9H,1-4H2/p+1
InChIKeyGJAUUPPAJTVUHL-UHFFFAOYSA-O
XLogP-0.64
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-5-oxa-2-azoniaspiro[3.4]octane?
The IUPAC name of 7,7-difluoro-5-oxa-2-azoniaspiro[3.4]octane (CID 166454570) is 7,7-difluoro-5-oxa-2-azoniaspiro[3.4]octane.
What is the SMILES notation for 7,7-difluoro-5-oxa-2-azoniaspiro[3.4]octane?
The canonical SMILES for 7,7-difluoro-5-oxa-2-azoniaspiro[3.4]octane is FC1(F)COC2(C[NH2+]C2)C1.
What is the InChIKey of 7,7-difluoro-5-oxa-2-azoniaspiro[3.4]octane?
The InChIKey is GJAUUPPAJTVUHL-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)1-5(10-4-6)2-9-3-5/h9H,1-4H2/p+1.
What are the key properties of 7,7-difluoro-5-oxa-2-azoniaspiro[3.4]octane?
7,7-difluoro-5-oxa-2-azoniaspiro[3.4]octane has a molecular weight of 150.15 g/mol, XLogP of -0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-5-oxa-2-azoniaspiro[3.4]octane is sourced from PubChem (CID 166454570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).