1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene

C6H2F10 — CID 73177908

IUPAC1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene
SMILESFC(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F10/c7-3(8,1-2-4(9,10)11)5(12,13)6(14,15)16/h1-2H
InChIKeyBRHMFXVXLONVKC-UHFFFAOYSA-N
MW264.06 g/mol
LogP3.94
Rot. Bonds2

About 1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene

1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene (PubChem CID 73177908) has the molecular formula C6H2F10 and a molecular weight of 264.06 g/mol. Its IUPAC name is 1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene.

Molecular Properties

Compound Name1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene
PubChem CID73177908
Molecular FormulaC6H2F10
Molecular Weight264.06 g/mol
Exact Mass264.00
IUPAC Name1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene
SMILESFC(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F10/c7-3(8,1-2-4(9,10)11)5(12,13)6(14,15)16/h1-2H
InChIKeyBRHMFXVXLONVKC-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene?
The IUPAC name of 1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene (CID 73177908) is 1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene.
What is the SMILES notation for 1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene?
The canonical SMILES for 1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene is FC(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene?
The InChIKey is BRHMFXVXLONVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F10/c7-3(8,1-2-4(9,10)11)5(12,13)6(14,15)16/h1-2H.
What are the key properties of 1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene?
1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene has a molecular weight of 264.06 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene is sourced from PubChem (CID 73177908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).