2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylic acid

C7H9F2NO3 — CID 162760712

IUPAC2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylic acid
SMILESO=C(O)C1COC2(CN1)CC2(F)F
InChIInChI=1S/C7H9F2NO3/c8-7(9)2-6(7)3-10-4(1-13-6)5(11)12/h4,10H,1-3H2,(H,11,12)
InChIKeyCDXBKJJZHNILFN-UHFFFAOYSA-N
MW193.15 g/mol
LogP-0.16
Rot. Bonds1

About 2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylic acid

2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylic acid (PubChem CID 162760712) has the molecular formula C7H9F2NO3 and a molecular weight of 193.15 g/mol. Its IUPAC name is 2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylic acid.

Molecular Properties

Compound Name2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylic acid
PubChem CID162760712
Molecular FormulaC7H9F2NO3
Molecular Weight193.15 g/mol
Exact Mass193.06
IUPAC Name2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylic acid
SMILESO=C(O)C1COC2(CN1)CC2(F)F
InChIInChI=1S/C7H9F2NO3/c8-7(9)2-6(7)3-10-4(1-13-6)5(11)12/h4,10H,1-3H2,(H,11,12)
InChIKeyCDXBKJJZHNILFN-UHFFFAOYSA-N
XLogP-0.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylic acid?
The IUPAC name of 2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylic acid (CID 162760712) is 2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylic acid.
What is the SMILES notation for 2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylic acid?
The canonical SMILES for 2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylic acid is O=C(O)C1COC2(CN1)CC2(F)F.
What is the InChIKey of 2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylic acid?
The InChIKey is CDXBKJJZHNILFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO3/c8-7(9)2-6(7)3-10-4(1-13-6)5(11)12/h4,10H,1-3H2,(H,11,12).
What are the key properties of 2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylic acid?
2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylic acid has a molecular weight of 193.15 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylic acid is sourced from PubChem (CID 162760712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).