(E)-1,1,1,5,5,5-hexafluoro-4-methylpent-2-ene

C6H6F6 — CID 12578249

IUPAC(E)-1,1,1,5,5,5-hexafluoro-4-methylpent-2-ene
SMILESCC(/C=C/C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6/c1-4(6(10,11)12)2-3-5(7,8)9/h2-4H,1H3/b3-2+
InChIKeyKYYMWTWGEOGVJR-NSCUHMNNSA-N
MW192.10 g/mol
LogP3.30
Rot. Bonds1

About (E)-1,1,1,5,5,5-hexafluoro-4-methylpent-2-ene

(E)-1,1,1,5,5,5-hexafluoro-4-methylpent-2-ene (PubChem CID 12578249) has the molecular formula C6H6F6 and a molecular weight of 192.10 g/mol. Its IUPAC name is (E)-1,1,1,5,5,5-hexafluoro-4-methylpent-2-ene.

Molecular Properties

Compound Name(E)-1,1,1,5,5,5-hexafluoro-4-methylpent-2-ene
PubChem CID12578249
Molecular FormulaC6H6F6
Molecular Weight192.10 g/mol
Exact Mass192.04
IUPAC Name(E)-1,1,1,5,5,5-hexafluoro-4-methylpent-2-ene
SMILESCC(/C=C/C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6/c1-4(6(10,11)12)2-3-5(7,8)9/h2-4H,1H3/b3-2+
InChIKeyKYYMWTWGEOGVJR-NSCUHMNNSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 53.30
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)-1,1,1,5,5,5-hexafluoro-4-methylpent-2-ene?
The IUPAC name of (E)-1,1,1,5,5,5-hexafluoro-4-methylpent-2-ene (CID 12578249) is (E)-1,1,1,5,5,5-hexafluoro-4-methylpent-2-ene.
What is the SMILES notation for (E)-1,1,1,5,5,5-hexafluoro-4-methylpent-2-ene?
The canonical SMILES for (E)-1,1,1,5,5,5-hexafluoro-4-methylpent-2-ene is CC(/C=C/C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,5,5,5-hexafluoro-4-methylpent-2-ene?
The InChIKey is KYYMWTWGEOGVJR-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H6F6/c1-4(6(10,11)12)2-3-5(7,8)9/h2-4H,1H3/b3-2+.
What are the key properties of (E)-1,1,1,5,5,5-hexafluoro-4-methylpent-2-ene?
(E)-1,1,1,5,5,5-hexafluoro-4-methylpent-2-ene has a molecular weight of 192.10 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,5,5,5-hexafluoro-4-methylpent-2-ene is sourced from PubChem (CID 12578249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).