(E)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(trifluoromethyl)pent-2-ene

C6F12 — CID 13033398

IUPAC(E)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(trifluoromethyl)pent-2-ene
SMILESF/C(=C(/C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F12/c7-2(5(13,14)15)1(4(10,11)12)3(8,9)6(16,17)18/b2-1+
InChIKeyCPRVHLZOPXZTJR-OWOJBTEDSA-N
MW300.04 g/mol
LogP4.53
Rot. Bonds1

About (E)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(trifluoromethyl)pent-2-ene

(E)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(trifluoromethyl)pent-2-ene (PubChem CID 13033398) has the molecular formula C6F12 and a molecular weight of 300.04 g/mol. Its IUPAC name is (E)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(trifluoromethyl)pent-2-ene
PubChem CID13033398
Molecular FormulaC6F12
Molecular Weight300.04 g/mol
Exact Mass299.98
IUPAC Name(E)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(trifluoromethyl)pent-2-ene
SMILESF/C(=C(/C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F12/c7-2(5(13,14)15)1(4(10,11)12)3(8,9)6(16,17)18/b2-1+
InChIKeyCPRVHLZOPXZTJR-OWOJBTEDSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.04
LogP ≤ 54.53
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)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(trifluoromethyl)pent-2-ene?
The IUPAC name of (E)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(trifluoromethyl)pent-2-ene (CID 13033398) is (E)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for (E)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(trifluoromethyl)pent-2-ene?
The canonical SMILES for (E)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(trifluoromethyl)pent-2-ene is F/C(=C(/C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(trifluoromethyl)pent-2-ene?
The InChIKey is CPRVHLZOPXZTJR-OWOJBTEDSA-N. The full InChI is InChI=1S/C6F12/c7-2(5(13,14)15)1(4(10,11)12)3(8,9)6(16,17)18/b2-1+.
What are the key properties of (E)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(trifluoromethyl)pent-2-ene?
(E)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(trifluoromethyl)pent-2-ene has a molecular weight of 300.04 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 13033398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).