(E)-3,4,4,4-tetrafluorobut-2-enal

C4H2F4O — CID 162396671

IUPAC(E)-3,4,4,4-tetrafluorobut-2-enal
SMILESO=C/C=C(/F)C(F)(F)F
InChIInChI=1S/C4H2F4O/c5-3(1-2-9)4(6,7)8/h1-2H/b3-1+
InChIKeyHSUJHGMYGPOOSW-HNQUOIGGSA-N
MW142.05 g/mol
LogP1.60
Rot. Bonds1

About (E)-3,4,4,4-tetrafluorobut-2-enal

(E)-3,4,4,4-tetrafluorobut-2-enal (PubChem CID 162396671) has the molecular formula C4H2F4O and a molecular weight of 142.05 g/mol. Its IUPAC name is (E)-3,4,4,4-tetrafluorobut-2-enal.

Molecular Properties

Compound Name(E)-3,4,4,4-tetrafluorobut-2-enal
PubChem CID162396671
Molecular FormulaC4H2F4O
Molecular Weight142.05 g/mol
Exact Mass142.00
IUPAC Name(E)-3,4,4,4-tetrafluorobut-2-enal
SMILESO=C/C=C(/F)C(F)(F)F
InChIInChI=1S/C4H2F4O/c5-3(1-2-9)4(6,7)8/h1-2H/b3-1+
InChIKeyHSUJHGMYGPOOSW-HNQUOIGGSA-N
XLogP1.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.05
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3,4,4,4-tetrafluorobut-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,4-Trifluoro-3-(trifluoromethyl)but-2-enal
CID 13667832
(Z)-2:2 Fluorotelomer unsaturated aldehyde
CID 162396672
4,4,4-Trifluoro-but-2-enal
CID 53755079
2,4,4,4-Tetrafluoro-3-(trifluoromethyl)but-2-enal
CID 12583200
(2E)-4,4,4-trifluorobut-2-enal
CID 11400760
(Z)-3-chloro-4,4,4-trifluorobut-2-enal
CID 12050659
(Z)-2,4,4,4-tetrafluoro-2-butenal
CID 17767365
3,3-Difluoropropenal
CID 18405863
2,3,4,4,4-Pentafluorobut-2-enal
CID 54065953
3-Chloro-4,4,4-trifluorobut-2-enal
CID 54430105
2,4,4,4-Tetrafluorobut-2-enal
CID 54441098
(E)-2,4,4,4-tetrafluorobut-2-enal
CID 88471851

Frequently Asked Questions

What is the IUPAC name of (E)-3,4,4,4-tetrafluorobut-2-enal?
The IUPAC name of (E)-3,4,4,4-tetrafluorobut-2-enal (CID 162396671) is (E)-3,4,4,4-tetrafluorobut-2-enal.
What is the SMILES notation for (E)-3,4,4,4-tetrafluorobut-2-enal?
The canonical SMILES for (E)-3,4,4,4-tetrafluorobut-2-enal is O=C/C=C(/F)C(F)(F)F.
What is the InChIKey of (E)-3,4,4,4-tetrafluorobut-2-enal?
The InChIKey is HSUJHGMYGPOOSW-HNQUOIGGSA-N. The full InChI is InChI=1S/C4H2F4O/c5-3(1-2-9)4(6,7)8/h1-2H/b3-1+.
What are the key properties of (E)-3,4,4,4-tetrafluorobut-2-enal?
(E)-3,4,4,4-tetrafluorobut-2-enal has a molecular weight of 142.05 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4,4,4-tetrafluorobut-2-enal is sourced from PubChem (CID 162396671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).