(E)-1,2,3,3,4,4,4-heptafluorobut-1-ene

C4HF7 — CID 12543098

IUPAC(E)-1,2,3,3,4,4,4-heptafluorobut-1-ene
SMILESF/C=C(/F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF7/c5-1-2(6)3(7,8)4(9,10)11/h1H/b2-1+
InChIKeyPVYYRPAHXQUHAW-OWOJBTEDSA-N
MW182.04 g/mol
LogP2.96
Rot. Bonds1

About (E)-1,2,3,3,4,4,4-heptafluorobut-1-ene

(E)-1,2,3,3,4,4,4-heptafluorobut-1-ene (PubChem CID 12543098) has the molecular formula C4HF7 and a molecular weight of 182.04 g/mol. Its IUPAC name is (E)-1,2,3,3,4,4,4-heptafluorobut-1-ene.

Molecular Properties

Compound Name(E)-1,2,3,3,4,4,4-heptafluorobut-1-ene
PubChem CID12543098
Molecular FormulaC4HF7
Molecular Weight182.04 g/mol
Exact Mass182.00
IUPAC Name(E)-1,2,3,3,4,4,4-heptafluorobut-1-ene
SMILESF/C=C(/F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF7/c5-1-2(6)3(7,8)4(9,10)11/h1H/b2-1+
InChIKeyPVYYRPAHXQUHAW-OWOJBTEDSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E)-1,2,3,3,4,4,4-heptafluorobut-1-ene?
The IUPAC name of (E)-1,2,3,3,4,4,4-heptafluorobut-1-ene (CID 12543098) is (E)-1,2,3,3,4,4,4-heptafluorobut-1-ene.
What is the SMILES notation for (E)-1,2,3,3,4,4,4-heptafluorobut-1-ene?
The canonical SMILES for (E)-1,2,3,3,4,4,4-heptafluorobut-1-ene is F/C=C(/F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-1,2,3,3,4,4,4-heptafluorobut-1-ene?
The InChIKey is PVYYRPAHXQUHAW-OWOJBTEDSA-N. The full InChI is InChI=1S/C4HF7/c5-1-2(6)3(7,8)4(9,10)11/h1H/b2-1+.
What are the key properties of (E)-1,2,3,3,4,4,4-heptafluorobut-1-ene?
(E)-1,2,3,3,4,4,4-heptafluorobut-1-ene has a molecular weight of 182.04 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2,3,3,4,4,4-heptafluorobut-1-ene is sourced from PubChem (CID 12543098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).