1,1,1,3,4,4,5,5,5-nonafluoro-2-methylpent-2-ene

C6H3F9 — CID 20976781

IUPAC1,1,1,3,4,4,5,5,5-nonafluoro-2-methylpent-2-ene
SMILESCC(=C(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F9/c1-2(5(10,11)12)3(7)4(8,9)6(13,14)15/h1H3
InChIKeyXDEACWGUWLUYFX-UHFFFAOYSA-N
MW246.07 g/mol
LogP3.99
Rot. Bonds1

About 1,1,1,3,4,4,5,5,5-nonafluoro-2-methylpent-2-ene

1,1,1,3,4,4,5,5,5-nonafluoro-2-methylpent-2-ene (PubChem CID 20976781) has the molecular formula C6H3F9 and a molecular weight of 246.07 g/mol. Its IUPAC name is 1,1,1,3,4,4,5,5,5-nonafluoro-2-methylpent-2-ene.

Molecular Properties

Compound Name1,1,1,3,4,4,5,5,5-nonafluoro-2-methylpent-2-ene
PubChem CID20976781
Molecular FormulaC6H3F9
Molecular Weight246.07 g/mol
Exact Mass246.01
IUPAC Name1,1,1,3,4,4,5,5,5-nonafluoro-2-methylpent-2-ene
SMILESCC(=C(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F9/c1-2(5(10,11)12)3(7)4(8,9)6(13,14)15/h1H3
InChIKeyXDEACWGUWLUYFX-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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 1,1,1,3,4,4,5,5,5-nonafluoro-2-methylpent-2-ene?
The IUPAC name of 1,1,1,3,4,4,5,5,5-nonafluoro-2-methylpent-2-ene (CID 20976781) is 1,1,1,3,4,4,5,5,5-nonafluoro-2-methylpent-2-ene.
What is the SMILES notation for 1,1,1,3,4,4,5,5,5-nonafluoro-2-methylpent-2-ene?
The canonical SMILES for 1,1,1,3,4,4,5,5,5-nonafluoro-2-methylpent-2-ene is CC(=C(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,4,4,5,5,5-nonafluoro-2-methylpent-2-ene?
The InChIKey is XDEACWGUWLUYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F9/c1-2(5(10,11)12)3(7)4(8,9)6(13,14)15/h1H3.
What are the key properties of 1,1,1,3,4,4,5,5,5-nonafluoro-2-methylpent-2-ene?
1,1,1,3,4,4,5,5,5-nonafluoro-2-methylpent-2-ene has a molecular weight of 246.07 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,4,4,5,5,5-nonafluoro-2-methylpent-2-ene is sourced from PubChem (CID 20976781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).