1,1,2,3,3,4,4-heptafluorobut-1-ene

C4HF7 — CID 2774880

IUPAC1,1,2,3,3,4,4-heptafluorobut-1-ene
SMILESFC(F)=C(F)C(F)(F)C(F)F
InChIInChI=1S/C4HF7/c5-1(2(6)7)4(10,11)3(8)9/h3H
InChIKeyNUPBXTZOBYEVIR-UHFFFAOYSA-N
MW182.04 g/mol
LogP2.96
Rot. Bonds2

About 1,1,2,3,3,4,4-heptafluorobut-1-ene

1,1,2,3,3,4,4-heptafluorobut-1-ene (PubChem CID 2774880) has the molecular formula C4HF7 and a molecular weight of 182.04 g/mol. Its IUPAC name is 1,1,2,3,3,4,4-heptafluorobut-1-ene.

Molecular Properties

Compound Name1,1,2,3,3,4,4-heptafluorobut-1-ene
PubChem CID2774880
Molecular FormulaC4HF7
Molecular Weight182.04 g/mol
Exact Mass182.00
IUPAC Name1,1,2,3,3,4,4-heptafluorobut-1-ene
SMILESFC(F)=C(F)C(F)(F)C(F)F
InChIInChI=1S/C4HF7/c5-1(2(6)7)4(10,11)3(8)9/h3H
InChIKeyNUPBXTZOBYEVIR-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,4-heptafluorobut-1-ene?
The IUPAC name of 1,1,2,3,3,4,4-heptafluorobut-1-ene (CID 2774880) is 1,1,2,3,3,4,4-heptafluorobut-1-ene.
What is the SMILES notation for 1,1,2,3,3,4,4-heptafluorobut-1-ene?
The canonical SMILES for 1,1,2,3,3,4,4-heptafluorobut-1-ene is FC(F)=C(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,3,3,4,4-heptafluorobut-1-ene?
The InChIKey is NUPBXTZOBYEVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF7/c5-1(2(6)7)4(10,11)3(8)9/h3H.
What are the key properties of 1,1,2,3,3,4,4-heptafluorobut-1-ene?
1,1,2,3,3,4,4-heptafluorobut-1-ene has a molecular weight of 182.04 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4-heptafluorobut-1-ene is sourced from PubChem (CID 2774880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).