(E)-1,1,1,2,4,4,4-heptafluorobut-2-ene

C4HF7 — CID 6110611

IUPAC(E)-1,1,1,2,4,4,4-heptafluorobut-2-ene
SMILESF/C(=C/C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4HF7/c5-2(4(9,10)11)1-3(6,7)8/h1H/b2-1+
InChIKeyYIFLMZOLKQBEBO-OWOJBTEDSA-N
MW182.04 g/mol
LogP2.96
Rot. Bonds

About (E)-1,1,1,2,4,4,4-heptafluorobut-2-ene

(E)-1,1,1,2,4,4,4-heptafluorobut-2-ene (PubChem CID 6110611) has the molecular formula C4HF7 and a molecular weight of 182.04 g/mol. Its IUPAC name is (E)-1,1,1,2,4,4,4-heptafluorobut-2-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,4,4,4-heptafluorobut-2-ene
PubChem CID6110611
Molecular FormulaC4HF7
Molecular Weight182.04 g/mol
Exact Mass182.00
IUPAC Name(E)-1,1,1,2,4,4,4-heptafluorobut-2-ene
SMILESF/C(=C/C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4HF7/c5-2(4(9,10)11)1-3(6,7)8/h1H/b2-1+
InChIKeyYIFLMZOLKQBEBO-OWOJBTEDSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.04
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,4,4,4-heptafluorobut-2-ene?
The IUPAC name of (E)-1,1,1,2,4,4,4-heptafluorobut-2-ene (CID 6110611) is (E)-1,1,1,2,4,4,4-heptafluorobut-2-ene.
What is the SMILES notation for (E)-1,1,1,2,4,4,4-heptafluorobut-2-ene?
The canonical SMILES for (E)-1,1,1,2,4,4,4-heptafluorobut-2-ene is F/C(=C/C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,4,4,4-heptafluorobut-2-ene?
The InChIKey is YIFLMZOLKQBEBO-OWOJBTEDSA-N. The full InChI is InChI=1S/C4HF7/c5-2(4(9,10)11)1-3(6,7)8/h1H/b2-1+.
What are the key properties of (E)-1,1,1,2,4,4,4-heptafluorobut-2-ene?
(E)-1,1,1,2,4,4,4-heptafluorobut-2-ene has a molecular weight of 182.04 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,4,4,4-heptafluorobut-2-ene is sourced from PubChem (CID 6110611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).