1,1,1,2-tetrafluorobut-2-ene

C4H4F4 — CID 54079952

IUPAC1,1,1,2-tetrafluorobut-2-ene
SMILESCC=C(F)C(F)(F)F
InChIInChI=1S/C4H4F4/c1-2-3(5)4(6,7)8/h2H,1H3
InChIKeyMMJXXOIUVNOFPL-UHFFFAOYSA-N
MW128.07 g/mol
LogP2.42
Rot. Bonds

About 1,1,1,2-tetrafluorobut-2-ene

1,1,1,2-tetrafluorobut-2-ene (PubChem CID 54079952) has the molecular formula C4H4F4 and a molecular weight of 128.07 g/mol. Its IUPAC name is 1,1,1,2-tetrafluorobut-2-ene.

Molecular Properties

Compound Name1,1,1,2-tetrafluorobut-2-ene
PubChem CID54079952
Molecular FormulaC4H4F4
Molecular Weight128.07 g/mol
Exact Mass128.02
IUPAC Name1,1,1,2-tetrafluorobut-2-ene
SMILESCC=C(F)C(F)(F)F
InChIInChI=1S/C4H4F4/c1-2-3(5)4(6,7)8/h2H,1H3
InChIKeyMMJXXOIUVNOFPL-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.07
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluorobut-2-ene?
The IUPAC name of 1,1,1,2-tetrafluorobut-2-ene (CID 54079952) is 1,1,1,2-tetrafluorobut-2-ene.
What is the SMILES notation for 1,1,1,2-tetrafluorobut-2-ene?
The canonical SMILES for 1,1,1,2-tetrafluorobut-2-ene is CC=C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluorobut-2-ene?
The InChIKey is MMJXXOIUVNOFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4/c1-2-3(5)4(6,7)8/h2H,1H3.
What are the key properties of 1,1,1,2-tetrafluorobut-2-ene?
1,1,1,2-tetrafluorobut-2-ene has a molecular weight of 128.07 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluorobut-2-ene is sourced from PubChem (CID 54079952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).