3,3,4,4-tetrafluorobut-1-ene

C4H4F4 — CID 555149

IUPAC3,3,4,4-tetrafluorobut-1-ene
SMILESC=CC(F)(F)C(F)F
InChIInChI=1S/C4H4F4/c1-2-4(7,8)3(5)6/h2-3H,1H2
InChIKeyBNLLWAALHYCOQM-UHFFFAOYSA-N
MW128.07 g/mol
LogP2.07
Rot. Bonds2

About 3,3,4,4-tetrafluorobut-1-ene

3,3,4,4-tetrafluorobut-1-ene (PubChem CID 555149) has the molecular formula C4H4F4 and a molecular weight of 128.07 g/mol. Its IUPAC name is 3,3,4,4-tetrafluorobut-1-ene.

Molecular Properties

Compound Name3,3,4,4-tetrafluorobut-1-ene
PubChem CID555149
Molecular FormulaC4H4F4
Molecular Weight128.07 g/mol
Exact Mass128.02
IUPAC Name3,3,4,4-tetrafluorobut-1-ene
SMILESC=CC(F)(F)C(F)F
InChIInChI=1S/C4H4F4/c1-2-4(7,8)3(5)6/h2-3H,1H2
InChIKeyBNLLWAALHYCOQM-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.07
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluorobut-1-ene?
The IUPAC name of 3,3,4,4-tetrafluorobut-1-ene (CID 555149) is 3,3,4,4-tetrafluorobut-1-ene.
What is the SMILES notation for 3,3,4,4-tetrafluorobut-1-ene?
The canonical SMILES for 3,3,4,4-tetrafluorobut-1-ene is C=CC(F)(F)C(F)F.
What is the InChIKey of 3,3,4,4-tetrafluorobut-1-ene?
The InChIKey is BNLLWAALHYCOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4/c1-2-4(7,8)3(5)6/h2-3H,1H2.
What are the key properties of 3,3,4,4-tetrafluorobut-1-ene?
3,3,4,4-tetrafluorobut-1-ene has a molecular weight of 128.07 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluorobut-1-ene is sourced from PubChem (CID 555149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).