5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid

C8H10F3NO4 — CID 155822908

IUPAC5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)C1CC12CNC2
InChIInChI=1S/C6H9NO2.C2HF3O2/c8-5(9)4-1-6(4)2-7-3-6;3-2(4,5)1(6)7/h4,7H,1-3H2,(H,8,9);(H,6,7)
InChIKeyHNEOASLRFJPWRH-UHFFFAOYSA-N
MW241.16 g/mol
LogP0.31
Rot. Bonds1

About 5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid

5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 155822908) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is 5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID155822908
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)C1CC12CNC2
InChIInChI=1S/C6H9NO2.C2HF3O2/c8-5(9)4-1-6(4)2-7-3-6;3-2(4,5)1(6)7/h4,7H,1-3H2,(H,8,9);(H,6,7)
InChIKeyHNEOASLRFJPWRH-UHFFFAOYSA-N
XLogP0.31
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-azaspiro[2.3]hexan-2-yl)ethanone
CID 84647837
(7S)-5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid
CID 146273108
5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride
CID 122163372
6-azaspiro[2.5]octane-2-carboxylic acid
CID 51342230
6-oxa-2-azaspiro[3.4]octane-8-carboxylic acid
CID 155893861
2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 175831728
3,3-difluoro-6-azabicyclo[3.1.1]heptane;2,2,2-trifluoroacetic acid
CID 172915955
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
bicyclo[2.2.2]octane;bis(2,2,2-trifluoroacetic acid)
CID 87462470
6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 171397252
(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid
CID 175729321
3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid
CID 170912508

Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid (CID 155822908) is 5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)C1CC12CNC2.
What is the InChIKey of 5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is HNEOASLRFJPWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.C2HF3O2/c8-5(9)4-1-6(4)2-7-3-6;3-2(4,5)1(6)7/h4,7H,1-3H2,(H,8,9);(H,6,7).
What are the key properties of 5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid?
5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 241.16 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155822908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).