spiro[2.5]octane;2,2,2-trifluoroacetic acid

C10H15F3O2 — CID 68898433

IUPACspiro[2.5]octane;2,2,2-trifluoroacetic acid
SMILESC1CCC2(CC1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14.C2HF3O2/c1-2-4-8(5-3-1)6-7-8;3-2(4,5)1(6)7/h1-7H2;(H,6,7)
InChIKeyBUOXUAJAYHETSW-UHFFFAOYSA-N
MW224.22 g/mol
LogP3.36
Rot. Bonds

About spiro[2.5]octane;2,2,2-trifluoroacetic acid

spiro[2.5]octane;2,2,2-trifluoroacetic acid (PubChem CID 68898433) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is spiro[2.5]octane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namespiro[2.5]octane;2,2,2-trifluoroacetic acid
PubChem CID68898433
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Namespiro[2.5]octane;2,2,2-trifluoroacetic acid
SMILESC1CCC2(CC1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14.C2HF3O2/c1-2-4-8(5-3-1)6-7-8;3-2(4,5)1(6)7/h1-7H2;(H,6,7)
InChIKeyBUOXUAJAYHETSW-UHFFFAOYSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 90185681
oxophosphanium;2,2,2-trifluoroacetic acid
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spiro[2.7]decane
CID 12657449
1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid
CID 72698248
2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 175831728
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
spiro[2.6]nonane;hydrochloride
CID 141316852

Frequently Asked Questions

What is the IUPAC name of spiro[2.5]octane;2,2,2-trifluoroacetic acid?
The IUPAC name of spiro[2.5]octane;2,2,2-trifluoroacetic acid (CID 68898433) is spiro[2.5]octane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for spiro[2.5]octane;2,2,2-trifluoroacetic acid?
The canonical SMILES for spiro[2.5]octane;2,2,2-trifluoroacetic acid is C1CCC2(CC1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of spiro[2.5]octane;2,2,2-trifluoroacetic acid?
The InChIKey is BUOXUAJAYHETSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C2HF3O2/c1-2-4-8(5-3-1)6-7-8;3-2(4,5)1(6)7/h1-7H2;(H,6,7).
What are the key properties of spiro[2.5]octane;2,2,2-trifluoroacetic acid?
spiro[2.5]octane;2,2,2-trifluoroacetic acid has a molecular weight of 224.22 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.5]octane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68898433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).