(E)-1,1,1,3,5,5,6,6,6-nonafluorohex-2-ene

C6H3F9 — CID 87370850

IUPAC(E)-1,1,1,3,5,5,6,6,6-nonafluorohex-2-ene
SMILESF/C(=C/C(F)(F)F)CC(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F9/c7-3(2-5(10,11)12)1-4(8,9)6(13,14)15/h2H,1H2/b3-2+
InChIKeyJVLSYKLERHAWTJ-NSCUHMNNSA-N
MW246.07 g/mol
LogP3.99
Rot. Bonds2

About (E)-1,1,1,3,5,5,6,6,6-nonafluorohex-2-ene

(E)-1,1,1,3,5,5,6,6,6-nonafluorohex-2-ene (PubChem CID 87370850) has the molecular formula C6H3F9 and a molecular weight of 246.07 g/mol. Its IUPAC name is (E)-1,1,1,3,5,5,6,6,6-nonafluorohex-2-ene.

Molecular Properties

Compound Name(E)-1,1,1,3,5,5,6,6,6-nonafluorohex-2-ene
PubChem CID87370850
Molecular FormulaC6H3F9
Molecular Weight246.07 g/mol
Exact Mass246.01
IUPAC Name(E)-1,1,1,3,5,5,6,6,6-nonafluorohex-2-ene
SMILESF/C(=C/C(F)(F)F)CC(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F9/c7-3(2-5(10,11)12)1-4(8,9)6(13,14)15/h2H,1H2/b3-2+
InChIKeyJVLSYKLERHAWTJ-NSCUHMNNSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.07
LogP ≤ 53.99
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 (E)-1,1,1,3,5,5,6,6,6-nonafluorohex-2-ene?
The IUPAC name of (E)-1,1,1,3,5,5,6,6,6-nonafluorohex-2-ene (CID 87370850) is (E)-1,1,1,3,5,5,6,6,6-nonafluorohex-2-ene.
What is the SMILES notation for (E)-1,1,1,3,5,5,6,6,6-nonafluorohex-2-ene?
The canonical SMILES for (E)-1,1,1,3,5,5,6,6,6-nonafluorohex-2-ene is F/C(=C/C(F)(F)F)CC(F)(F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,3,5,5,6,6,6-nonafluorohex-2-ene?
The InChIKey is JVLSYKLERHAWTJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H3F9/c7-3(2-5(10,11)12)1-4(8,9)6(13,14)15/h2H,1H2/b3-2+.
What are the key properties of (E)-1,1,1,3,5,5,6,6,6-nonafluorohex-2-ene?
(E)-1,1,1,3,5,5,6,6,6-nonafluorohex-2-ene has a molecular weight of 246.07 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,3,5,5,6,6,6-nonafluorohex-2-ene is sourced from PubChem (CID 87370850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).