cyclobutanecarbaldehyde;2,2,2-trifluoroacetic acid

C7H9F3O3 — CID 175323512

IUPACcyclobutanecarbaldehyde;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=CC1CCC1
InChIInChI=1S/C5H8O.C2HF3O2/c6-4-5-2-1-3-5;3-2(4,5)1(6)7/h4-5H,1-3H2;(H,6,7)
InChIKeyGWUVFEZCACVBEB-UHFFFAOYSA-N
MW198.14 g/mol
LogP1.62
Rot. Bonds1

About cyclobutanecarbaldehyde;2,2,2-trifluoroacetic acid

cyclobutanecarbaldehyde;2,2,2-trifluoroacetic acid (PubChem CID 175323512) has the molecular formula C7H9F3O3 and a molecular weight of 198.14 g/mol. Its IUPAC name is cyclobutanecarbaldehyde;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecyclobutanecarbaldehyde;2,2,2-trifluoroacetic acid
PubChem CID175323512
Molecular FormulaC7H9F3O3
Molecular Weight198.14 g/mol
Exact Mass198.05
IUPAC Namecyclobutanecarbaldehyde;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=CC1CCC1
InChIInChI=1S/C5H8O.C2HF3O2/c6-4-5-2-1-3-5;3-2(4,5)1(6)7/h4-5H,1-3H2;(H,6,7)
InChIKeyGWUVFEZCACVBEB-UHFFFAOYSA-N
XLogP1.62
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 135390185
cyclodecanecarbaldehyde
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bicyclo[2.2.2]octane;bis(2,2,2-trifluoroacetic acid)
CID 87462470
benzene;cyclohexanecarbaldehyde
CID 174845063
cyclopentanol;2,2,2-trifluoroacetic acid
CID 175723828
5-hydroxycyclononane-1-carbaldehyde
CID 90716773
cyclooctane-1,4-dicarbaldehyde
CID 19884381
oxophosphanium;2,2,2-trifluoroacetic acid
CID 175810301
4-(3,4-difluorophenyl)cyclohexane-1-carbaldehyde;2,2,2-trifluoroacetic acid
CID 175215918
cyclohexanecarbaldehyde;ethane;methanol
CID 144911027
cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
CID 162300046
trans-(1R,3R)-3-(trifluoromethyl)cyclohexane-1-carbaldehyde
CID 97010124

Frequently Asked Questions

What is the IUPAC name of cyclobutanecarbaldehyde;2,2,2-trifluoroacetic acid?
The IUPAC name of cyclobutanecarbaldehyde;2,2,2-trifluoroacetic acid (CID 175323512) is cyclobutanecarbaldehyde;2,2,2-trifluoroacetic acid.
What is the SMILES notation for cyclobutanecarbaldehyde;2,2,2-trifluoroacetic acid?
The canonical SMILES for cyclobutanecarbaldehyde;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=CC1CCC1.
What is the InChIKey of cyclobutanecarbaldehyde;2,2,2-trifluoroacetic acid?
The InChIKey is GWUVFEZCACVBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C2HF3O2/c6-4-5-2-1-3-5;3-2(4,5)1(6)7/h4-5H,1-3H2;(H,6,7).
What are the key properties of cyclobutanecarbaldehyde;2,2,2-trifluoroacetic acid?
cyclobutanecarbaldehyde;2,2,2-trifluoroacetic acid has a molecular weight of 198.14 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanecarbaldehyde;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175323512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).