(E)-1,2,4,4,4-pentafluoro-3,3-bis(trifluoromethyl)but-1-ene

C6HF11 — CID 5378161

IUPAC(E)-1,2,4,4,4-pentafluoro-3,3-bis(trifluoromethyl)but-1-ene
SMILESF/C=C(/F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF11/c7-1-2(8)3(4(9,10)11,5(12,13)14)6(15,16)17/h1H/b2-1+
InChIKeyDGEPMSKKMUBUQA-OWOJBTEDSA-N
MW282.05 g/mol
LogP4.44
Rot. Bonds1

About (E)-1,2,4,4,4-pentafluoro-3,3-bis(trifluoromethyl)but-1-ene

(E)-1,2,4,4,4-pentafluoro-3,3-bis(trifluoromethyl)but-1-ene (PubChem CID 5378161) has the molecular formula C6HF11 and a molecular weight of 282.05 g/mol. Its IUPAC name is (E)-1,2,4,4,4-pentafluoro-3,3-bis(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name(E)-1,2,4,4,4-pentafluoro-3,3-bis(trifluoromethyl)but-1-ene
PubChem CID5378161
Molecular FormulaC6HF11
Molecular Weight282.05 g/mol
Exact Mass281.99
IUPAC Name(E)-1,2,4,4,4-pentafluoro-3,3-bis(trifluoromethyl)but-1-ene
SMILESF/C=C(/F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF11/c7-1-2(8)3(4(9,10)11,5(12,13)14)6(15,16)17/h1H/b2-1+
InChIKeyDGEPMSKKMUBUQA-OWOJBTEDSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.05
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (E)-1,2,4,4,4-pentafluoro-3,3-bis(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of (E)-1,2,4,4,4-pentafluoro-3,3-bis(trifluoromethyl)but-1-ene?
The IUPAC name of (E)-1,2,4,4,4-pentafluoro-3,3-bis(trifluoromethyl)but-1-ene (CID 5378161) is (E)-1,2,4,4,4-pentafluoro-3,3-bis(trifluoromethyl)but-1-ene.
What is the SMILES notation for (E)-1,2,4,4,4-pentafluoro-3,3-bis(trifluoromethyl)but-1-ene?
The canonical SMILES for (E)-1,2,4,4,4-pentafluoro-3,3-bis(trifluoromethyl)but-1-ene is F/C=C(/F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,2,4,4,4-pentafluoro-3,3-bis(trifluoromethyl)but-1-ene?
The InChIKey is DGEPMSKKMUBUQA-OWOJBTEDSA-N. The full InChI is InChI=1S/C6HF11/c7-1-2(8)3(4(9,10)11,5(12,13)14)6(15,16)17/h1H/b2-1+.
What are the key properties of (E)-1,2,4,4,4-pentafluoro-3,3-bis(trifluoromethyl)but-1-ene?
(E)-1,2,4,4,4-pentafluoro-3,3-bis(trifluoromethyl)but-1-ene has a molecular weight of 282.05 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2,4,4,4-pentafluoro-3,3-bis(trifluoromethyl)but-1-ene is sourced from PubChem (CID 5378161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).