cyclohexanone;2,2,2-trifluoroacetic acid

C8H11F3O3 — CID 175510064

IUPACcyclohexanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCCCC1
InChIInChI=1S/C6H10O.C2HF3O2/c7-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5H2;(H,6,7)
InChIKeyZYEFWVYGXULTOH-UHFFFAOYSA-N
MW212.17 g/mol
LogP2.15
Rot. Bonds

About cyclohexanone;2,2,2-trifluoroacetic acid

cyclohexanone;2,2,2-trifluoroacetic acid (PubChem CID 175510064) has the molecular formula C8H11F3O3 and a molecular weight of 212.17 g/mol. Its IUPAC name is cyclohexanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecyclohexanone;2,2,2-trifluoroacetic acid
PubChem CID175510064
Molecular FormulaC8H11F3O3
Molecular Weight212.17 g/mol
Exact Mass212.07
IUPAC Namecyclohexanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCCCC1
InChIInChI=1S/C6H10O.C2HF3O2/c7-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5H2;(H,6,7)
InChIKeyZYEFWVYGXULTOH-UHFFFAOYSA-N
XLogP2.15
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclotricosanone
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cyclododecanone
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cyclohexanone;oxaldehydic acid
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azane;cyclononanone
CID 172719607
oxophosphanium;2,2,2-trifluoroacetic acid
CID 175810301
cyclohexane;cyclohexanone;sulfane
CID 175236228
lithium;cyclohexanone;hydride
CID 173089649
cycloheptanone;cyclohexanone;cyclopentanone;ethane
CID 158721030
CID 162230812
CID 162230812
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543

Frequently Asked Questions

What is the IUPAC name of cyclohexanone;2,2,2-trifluoroacetic acid?
The IUPAC name of cyclohexanone;2,2,2-trifluoroacetic acid (CID 175510064) is cyclohexanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for cyclohexanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for cyclohexanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CCCCC1.
What is the InChIKey of cyclohexanone;2,2,2-trifluoroacetic acid?
The InChIKey is ZYEFWVYGXULTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C2HF3O2/c7-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5H2;(H,6,7).
What are the key properties of cyclohexanone;2,2,2-trifluoroacetic acid?
cyclohexanone;2,2,2-trifluoroacetic acid has a molecular weight of 212.17 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175510064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).