butanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane

C7H8F6O2 — CID 174909301

IUPACbutanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
SMILESCCCC=O.FC(F)(F)C1(F)OC1(F)F
InChIInChI=1S/C4H8O.C3F6O/c1-2-3-4-5;4-1(2(5,6)7)3(8,9)10-1/h4H,2-3H2,1H3;
InChIKeyRHEYJKOOCKEGDH-UHFFFAOYSA-N
MW238.13 g/mol
LogP2.82
Rot. Bonds2

About butanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane

butanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane (PubChem CID 174909301) has the molecular formula C7H8F6O2 and a molecular weight of 238.13 g/mol. Its IUPAC name is butanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane.

Molecular Properties

Compound Namebutanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
PubChem CID174909301
Molecular FormulaC7H8F6O2
Molecular Weight238.13 g/mol
Exact Mass238.04
IUPAC Namebutanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
SMILESCCCC=O.FC(F)(F)C1(F)OC1(F)F
InChIInChI=1S/C4H8O.C3F6O/c1-2-3-4-5;4-1(2(5,6)7)3(8,9)10-1/h4H,2-3H2,1H3;
InChIKeyRHEYJKOOCKEGDH-UHFFFAOYSA-N
XLogP2.82
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane?
The IUPAC name of butanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane (CID 174909301) is butanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane.
What is the SMILES notation for butanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane?
The canonical SMILES for butanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane is CCCC=O.FC(F)(F)C1(F)OC1(F)F.
What is the InChIKey of butanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane?
The InChIKey is RHEYJKOOCKEGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3F6O/c1-2-3-4-5;4-1(2(5,6)7)3(8,9)10-1/h4H,2-3H2,1H3;.
What are the key properties of butanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane?
butanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane has a molecular weight of 238.13 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane is sourced from PubChem (CID 174909301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).