(E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane

C7H10F6 — CID 90329560

IUPAC(E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane
SMILESCCC.FC(F)(F)/C=C/C(F)(F)F
InChIInChI=1S/C4H2F6.C3H8/c5-3(6,7)1-2-4(8,9)10;1-3-2/h1-2H;3H2,1-2H3/b2-1+;
InChIKeyBXRKKWBUXLVNIO-TYYBGVCCSA-N
MW208.15 g/mol
LogP4.08
Rot. Bonds

About (E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane

(E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane (PubChem CID 90329560) has the molecular formula C7H10F6 and a molecular weight of 208.15 g/mol. Its IUPAC name is (E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane.

Molecular Properties

Compound Name(E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane
PubChem CID90329560
Molecular FormulaC7H10F6
Molecular Weight208.15 g/mol
Exact Mass208.07
IUPAC Name(E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane
SMILESCCC.FC(F)(F)/C=C/C(F)(F)F
InChIInChI=1S/C4H2F6.C3H8/c5-3(6,7)1-2-4(8,9)10;1-3-2/h1-2H;3H2,1-2H3/b2-1+;
InChIKeyBXRKKWBUXLVNIO-TYYBGVCCSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane?
The IUPAC name of (E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane (CID 90329560) is (E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane.
What is the SMILES notation for (E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane?
The canonical SMILES for (E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane is CCC.FC(F)(F)/C=C/C(F)(F)F.
What is the InChIKey of (E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane?
The InChIKey is BXRKKWBUXLVNIO-TYYBGVCCSA-N. The full InChI is InChI=1S/C4H2F6.C3H8/c5-3(6,7)1-2-4(8,9)10;1-3-2/h1-2H;3H2,1-2H3/b2-1+;.
What are the key properties of (E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane?
(E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane has a molecular weight of 208.15 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane is sourced from PubChem (CID 90329560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).