1,1,3,4,4,4-hexafluoro-2-(1,1,3,4,4,4-hexafluorobut-1-en-2-yloxy)but-1-ene

C8H2F12O — CID 18348280

IUPAC1,1,3,4,4,4-hexafluoro-2-(1,1,3,4,4,4-hexafluorobut-1-en-2-yloxy)but-1-ene
SMILESFC(F)=C(OC(=C(F)F)C(F)C(F)(F)F)C(F)C(F)(F)F
InChIInChI=1S/C8H2F12O/c9-3(7(15,16)17)1(5(11)12)21-2(6(13)14)4(10)8(18,19)20/h3-4H
InChIKeyLFRGQYUQRQQDKF-UHFFFAOYSA-N
MW342.08 g/mol
LogP5.02
Rot. Bonds4

About 1,1,3,4,4,4-hexafluoro-2-(1,1,3,4,4,4-hexafluorobut-1-en-2-yloxy)but-1-ene

1,1,3,4,4,4-hexafluoro-2-(1,1,3,4,4,4-hexafluorobut-1-en-2-yloxy)but-1-ene (PubChem CID 18348280) has the molecular formula C8H2F12O and a molecular weight of 342.08 g/mol. Its IUPAC name is 1,1,3,4,4,4-hexafluoro-2-(1,1,3,4,4,4-hexafluorobut-1-en-2-yloxy)but-1-ene.

Molecular Properties

Compound Name1,1,3,4,4,4-hexafluoro-2-(1,1,3,4,4,4-hexafluorobut-1-en-2-yloxy)but-1-ene
PubChem CID18348280
Molecular FormulaC8H2F12O
Molecular Weight342.08 g/mol
Exact Mass341.99
IUPAC Name1,1,3,4,4,4-hexafluoro-2-(1,1,3,4,4,4-hexafluorobut-1-en-2-yloxy)but-1-ene
SMILESFC(F)=C(OC(=C(F)F)C(F)C(F)(F)F)C(F)C(F)(F)F
InChIInChI=1S/C8H2F12O/c9-3(7(15,16)17)1(5(11)12)21-2(6(13)14)4(10)8(18,19)20/h3-4H
InChIKeyLFRGQYUQRQQDKF-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.08
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1,1,3,4,4,4-hexafluoro-2-(1,1,3,4,4,4-hexafluorobut-1-en-2-yloxy)but-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,2,3,4,4,4-heptafluorobut-1-ene
CID 21096848
1-chloroethenyl 2,3,3,3-tetrafluoropropanoate
CID 175302669
(2S)-2,3,3,3-tetrafluoropropanamide
CID 7005133
2-fluoroethyl 2,3,3,3-tetrafluoropropanoate
CID 134247673
1,1,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethane
CID 14150208
fluoro hypofluorite;1,1,1,2,2-pentafluoroethane
CID 174898665
4-chloro-1,1,3,4,4-pentafluoro-2-methylbut-1-ene
CID 19781249
1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)propane
CID 20802177
1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane
CID 6365941
4-fluoro-2-(trifluoromethyl)butanoyl fluoride
CID 151926103
1,1,1,2,2-pentafluoroethane iodide
CID 157061199
1,2,3,3,3-pentafluoropropan-1-ol
CID 23510551

Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,4,4-hexafluoro-2-(1,1,3,4,4,4-hexafluorobut-1-en-2-yloxy)but-1-ene?
The IUPAC name of 1,1,3,4,4,4-hexafluoro-2-(1,1,3,4,4,4-hexafluorobut-1-en-2-yloxy)but-1-ene (CID 18348280) is 1,1,3,4,4,4-hexafluoro-2-(1,1,3,4,4,4-hexafluorobut-1-en-2-yloxy)but-1-ene.
What is the SMILES notation for 1,1,3,4,4,4-hexafluoro-2-(1,1,3,4,4,4-hexafluorobut-1-en-2-yloxy)but-1-ene?
The canonical SMILES for 1,1,3,4,4,4-hexafluoro-2-(1,1,3,4,4,4-hexafluorobut-1-en-2-yloxy)but-1-ene is FC(F)=C(OC(=C(F)F)C(F)C(F)(F)F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,3,4,4,4-hexafluoro-2-(1,1,3,4,4,4-hexafluorobut-1-en-2-yloxy)but-1-ene?
The InChIKey is LFRGQYUQRQQDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F12O/c9-3(7(15,16)17)1(5(11)12)21-2(6(13)14)4(10)8(18,19)20/h3-4H.
What are the key properties of 1,1,3,4,4,4-hexafluoro-2-(1,1,3,4,4,4-hexafluorobut-1-en-2-yloxy)but-1-ene?
1,1,3,4,4,4-hexafluoro-2-(1,1,3,4,4,4-hexafluorobut-1-en-2-yloxy)but-1-ene has a molecular weight of 342.08 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,4,4,4-hexafluoro-2-(1,1,3,4,4,4-hexafluorobut-1-en-2-yloxy)but-1-ene is sourced from PubChem (CID 18348280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).