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

C6H3F9 — CID 19424809

IUPAC1,1,3,3,4,4,5,5,5-nonafluoro-2-methylpent-1-ene
SMILESCC(=C(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F9/c1-2(3(7)8)4(9,10)5(11,12)6(13,14)15/h1H3
InChIKeyUFJXPBUMMRRJHS-UHFFFAOYSA-N
MW246.07 g/mol
LogP3.99
Rot. Bonds2

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

1,1,3,3,4,4,5,5,5-nonafluoro-2-methylpent-1-ene (PubChem CID 19424809) has the molecular formula C6H3F9 and a molecular weight of 246.07 g/mol. Its IUPAC name is 1,1,3,3,4,4,5,5,5-nonafluoro-2-methylpent-1-ene.

Molecular Properties

Compound Name1,1,3,3,4,4,5,5,5-nonafluoro-2-methylpent-1-ene
PubChem CID19424809
Molecular FormulaC6H3F9
Molecular Weight246.07 g/mol
Exact Mass246.01
IUPAC Name1,1,3,3,4,4,5,5,5-nonafluoro-2-methylpent-1-ene
SMILESCC(=C(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F9/c1-2(3(7)8)4(9,10)5(11,12)6(13,14)15/h1H3
InChIKeyUFJXPBUMMRRJHS-UHFFFAOYSA-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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Related Compounds

6H-Perfluorohex-1-ene
CID 2776155
1,1,3,3,4,4,5,5,5-Nonafluoro-2-(trifluoromethyl)-1-pentene
CID 12576088
1,1-Difluoro-2-(trifluoromethyl)but-1-ene
CID 13115975
1,1,4,4,4-Pentafluoro-2-(trifluoromethyl)but-1-ene
CID 45933683
1,1,4,4,5,5,6,6,6-Nonafluoro-3-(trifluoromethyl)hexa-1,2-diene
CID 12789891
Pentafluoro-1-hexene
CID 129801158
1,1,4,4,5,5,5-Heptafluoro-2-(trifluoromethyl)-1-pentene
CID 11311586
2-Methyl-3,3,4,4,5,5,5-heptafluoro-pent-1-ene
CID 19091131
(E)-1,4,4,5,5,5-hexafluoro-2-(trifluoromethyl)pent-1-ene
CID 23266236
(Z)-1,4,4,5,5,5-hexafluoro-2-(trifluoromethyl)pent-1-ene
CID 87113279
1,1,4,4,5,5,5-Heptafluoro-2-methylpent-1-ene
CID 23266238
1,1,2,3,3,4,4-Heptafluorohex-1-ene
CID 10846102

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,4,4,5,5,5-nonafluoro-2-methylpent-1-ene?
The IUPAC name of 1,1,3,3,4,4,5,5,5-nonafluoro-2-methylpent-1-ene (CID 19424809) is 1,1,3,3,4,4,5,5,5-nonafluoro-2-methylpent-1-ene.
What is the SMILES notation for 1,1,3,3,4,4,5,5,5-nonafluoro-2-methylpent-1-ene?
The canonical SMILES for 1,1,3,3,4,4,5,5,5-nonafluoro-2-methylpent-1-ene is CC(=C(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,3,3,4,4,5,5,5-nonafluoro-2-methylpent-1-ene?
The InChIKey is UFJXPBUMMRRJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F9/c1-2(3(7)8)4(9,10)5(11,12)6(13,14)15/h1H3.
What are the key properties of 1,1,3,3,4,4,5,5,5-nonafluoro-2-methylpent-1-ene?
1,1,3,3,4,4,5,5,5-nonafluoro-2-methylpent-1-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 1,1,3,3,4,4,5,5,5-nonafluoro-2-methylpent-1-ene is sourced from PubChem (CID 19424809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).