2,2-difluoro-1-oxa-7-azaspiro[3.4]octane

C6H9F2NO — CID 155262774

IUPAC2,2-difluoro-1-oxa-7-azaspiro[3.4]octane
SMILESFC1(F)CC2(CCNC2)O1
InChIInChI=1S/C6H9F2NO/c7-6(8)3-5(10-6)1-2-9-4-5/h9H,1-4H2
InChIKeyYPJWIWQYCYAHEU-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.73
Rot. Bonds

About 2,2-difluoro-1-oxa-7-azaspiro[3.4]octane

2,2-difluoro-1-oxa-7-azaspiro[3.4]octane (PubChem CID 155262774) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 2,2-difluoro-1-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name2,2-difluoro-1-oxa-7-azaspiro[3.4]octane
PubChem CID155262774
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name2,2-difluoro-1-oxa-7-azaspiro[3.4]octane
SMILESFC1(F)CC2(CCNC2)O1
InChIInChI=1S/C6H9F2NO/c7-6(8)3-5(10-6)1-2-9-4-5/h9H,1-4H2
InChIKeyYPJWIWQYCYAHEU-UHFFFAOYSA-N
XLogP0.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 2,2-difluoro-1-oxa-7-azaspiro[3.4]octane (CID 155262774) is 2,2-difluoro-1-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 2,2-difluoro-1-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 2,2-difluoro-1-oxa-7-azaspiro[3.4]octane is FC1(F)CC2(CCNC2)O1.
What is the InChIKey of 2,2-difluoro-1-oxa-7-azaspiro[3.4]octane?
The InChIKey is YPJWIWQYCYAHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)3-5(10-6)1-2-9-4-5/h9H,1-4H2.
What are the key properties of 2,2-difluoro-1-oxa-7-azaspiro[3.4]octane?
2,2-difluoro-1-oxa-7-azaspiro[3.4]octane has a molecular weight of 149.14 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 155262774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).