2,3,4-trifluorobut-3-enal

C4H3F3O — CID 173025453

IUPAC2,3,4-trifluorobut-3-enal
SMILESO=CC(F)C(F)=CF
InChIInChI=1S/C4H3F3O/c5-1-3(6)4(7)2-8/h1-2,4H
InChIKeySBPCSWJIIGVPPC-UHFFFAOYSA-N
MW124.06 g/mol
LogP1.30
Rot. Bonds2

About 2,3,4-trifluorobut-3-enal

2,3,4-trifluorobut-3-enal (PubChem CID 173025453) has the molecular formula C4H3F3O and a molecular weight of 124.06 g/mol. Its IUPAC name is 2,3,4-trifluorobut-3-enal.

Molecular Properties

Compound Name2,3,4-trifluorobut-3-enal
PubChem CID173025453
Molecular FormulaC4H3F3O
Molecular Weight124.06 g/mol
Exact Mass124.01
IUPAC Name2,3,4-trifluorobut-3-enal
SMILESO=CC(F)C(F)=CF
InChIInChI=1S/C4H3F3O/c5-1-3(6)4(7)2-8/h1-2,4H
InChIKeySBPCSWJIIGVPPC-UHFFFAOYSA-N
XLogP1.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.06
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluorobut-3-enal?
The IUPAC name of 2,3,4-trifluorobut-3-enal (CID 173025453) is 2,3,4-trifluorobut-3-enal.
What is the SMILES notation for 2,3,4-trifluorobut-3-enal?
The canonical SMILES for 2,3,4-trifluorobut-3-enal is O=CC(F)C(F)=CF.
What is the InChIKey of 2,3,4-trifluorobut-3-enal?
The InChIKey is SBPCSWJIIGVPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3O/c5-1-3(6)4(7)2-8/h1-2,4H.
What are the key properties of 2,3,4-trifluorobut-3-enal?
2,3,4-trifluorobut-3-enal has a molecular weight of 124.06 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluorobut-3-enal is sourced from PubChem (CID 173025453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).