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

C4HF7 — CID 21096859

IUPAC1,1,3,3,4,4,4-heptafluorobut-1-ene
SMILESFC(F)=CC(F)(F)C(F)(F)F
InChIInChI=1S/C4HF7/c5-2(6)1-3(7,8)4(9,10)11/h1H
InChIKeyGCNWWRIQEJNUIF-UHFFFAOYSA-N
MW182.04 g/mol
LogP2.96
Rot. Bonds1

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

1,1,3,3,4,4,4-heptafluorobut-1-ene (PubChem CID 21096859) has the molecular formula C4HF7 and a molecular weight of 182.04 g/mol. Its IUPAC name is 1,1,3,3,4,4,4-heptafluorobut-1-ene.

Molecular Properties

Compound Name1,1,3,3,4,4,4-heptafluorobut-1-ene
PubChem CID21096859
Molecular FormulaC4HF7
Molecular Weight182.04 g/mol
Exact Mass182.00
IUPAC Name1,1,3,3,4,4,4-heptafluorobut-1-ene
SMILESFC(F)=CC(F)(F)C(F)(F)F
InChIInChI=1S/C4HF7/c5-2(6)1-3(7,8)4(9,10)11/h1H
InChIKeyGCNWWRIQEJNUIF-UHFFFAOYSA-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

2,3,3,4,4,5,5-Heptafluoro-1-pentene
CID 13750142
3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene
CID 88054
3,3,4,4,4-Pentafluorobut-1-ene
CID 78990
3,3,4,4,5,5,5-Heptafluoropent-1-ene
CID 67727
3,4,4,4-Tetrafluoro-3-(trifluoromethyl)but-1-ene
CID 2777831
4,4,5,5,6,6,7,7,7-Nonafluorohepta-1,2-diene
CID 14816571
(1Z)-1,3,4,4,4-Pentafluoro-3-(trifluoromethyl)but-1-ene
CID 23233249
(1E)-1,3,4,4,4-Pentafluoro-3-(trifluoromethyl)but-1-ene
CID 23233250
1,1,3,4,4,4-Hexafluoro-3-(trifluoromethyl)but-1-ene
CID 54420071
3,3,4,4-Tetrafluorocyclobutene
CID 11948316
1,3,4,4,4-Pentafluoro-3-(trifluoromethyl)but-1-ene
CID 74023403
3,3,4,4-Tetrafluorohexa-1,5-diene
CID 74482

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,4,4,4-heptafluorobut-1-ene?
The IUPAC name of 1,1,3,3,4,4,4-heptafluorobut-1-ene (CID 21096859) is 1,1,3,3,4,4,4-heptafluorobut-1-ene.
What is the SMILES notation for 1,1,3,3,4,4,4-heptafluorobut-1-ene?
The canonical SMILES for 1,1,3,3,4,4,4-heptafluorobut-1-ene is FC(F)=CC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,3,3,4,4,4-heptafluorobut-1-ene?
The InChIKey is GCNWWRIQEJNUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF7/c5-2(6)1-3(7,8)4(9,10)11/h1H.
What are the key properties of 1,1,3,3,4,4,4-heptafluorobut-1-ene?
1,1,3,3,4,4,4-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 1,1,3,3,4,4,4-heptafluorobut-1-ene is sourced from PubChem (CID 21096859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).