(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-5,6-dicarboxylate

C8H7F2NO4-2 — CID 150516484

IUPAC(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-5,6-dicarboxylate
SMILESO=C([O-])[C@@H]1CC2(CN1C(=O)[O-])CC2(F)F
InChIInChI=1S/C8H9F2NO4/c9-8(10)2-7(8)1-4(5(12)13)11(3-7)6(14)15/h4H,1-3H2,(H,12,13)(H,14,15)/p-2/t4-,7?/m0/s1
InChIKeyIAXRFDJSLSIPPM-LRYVRFSDSA-L
MW219.14 g/mol
LogP-1.82
Rot. Bonds1

About (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-5,6-dicarboxylate

(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-5,6-dicarboxylate (PubChem CID 150516484) has the molecular formula C8H7F2NO4-2 and a molecular weight of 219.14 g/mol. Its IUPAC name is (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-5,6-dicarboxylate.

Molecular Properties

Compound Name(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-5,6-dicarboxylate
PubChem CID150516484
Molecular FormulaC8H7F2NO4-2
Molecular Weight219.14 g/mol
Exact Mass219.04
IUPAC Name(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-5,6-dicarboxylate
SMILESO=C([O-])[C@@H]1CC2(CN1C(=O)[O-])CC2(F)F
InChIInChI=1S/C8H9F2NO4/c9-8(10)2-7(8)1-4(5(12)13)11(3-7)6(14)15/h4H,1-3H2,(H,12,13)(H,14,15)/p-2/t4-,7?/m0/s1
InChIKeyIAXRFDJSLSIPPM-LRYVRFSDSA-L
XLogP-1.82
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.14
LogP ≤ 5-1.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pentakis((2S)-aziridine-1,2-dicarboxylate);bis(vanadium)
CID 174059428
2,2,3,3-tetrafluorocyclobutane-1-carboxylate
CID 74420491
2-(cyanomethyl)-4,4-difluoropyrrolidine-1-carboxylate
CID 154395254
(3S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 69045674
potassium;methane;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylate;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 158891517
(6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 90262412
1-(1-acetyl-4,4-difluoropyrrolidin-2-yl)ethanone
CID 21015975
3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 154220517
tert-butyl (3S,6S)-2,2-difluoro-6-[[(2S)-1-methoxy-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]carbamoyl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 162695304
ethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone
CID 143738811
4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 129498929
2-acetyl-4,4-difluoropyrrolidine-1-carboxylic acid
CID 174189890

Frequently Asked Questions

What is the IUPAC name of (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-5,6-dicarboxylate?
The IUPAC name of (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-5,6-dicarboxylate (CID 150516484) is (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-5,6-dicarboxylate.
What is the SMILES notation for (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-5,6-dicarboxylate?
The canonical SMILES for (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-5,6-dicarboxylate is O=C([O-])[C@@H]1CC2(CN1C(=O)[O-])CC2(F)F.
What is the InChIKey of (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-5,6-dicarboxylate?
The InChIKey is IAXRFDJSLSIPPM-LRYVRFSDSA-L. The full InChI is InChI=1S/C8H9F2NO4/c9-8(10)2-7(8)1-4(5(12)13)11(3-7)6(14)15/h4H,1-3H2,(H,12,13)(H,14,15)/p-2/t4-,7?/m0/s1.
What are the key properties of (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-5,6-dicarboxylate?
(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-5,6-dicarboxylate has a molecular weight of 219.14 g/mol, XLogP of -1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-5,6-dicarboxylate is sourced from PubChem (CID 150516484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).