1,1,3,3,4,4-hexafluoro-2-(trifluoromethyl)hex-1-ene

C7H5F9 — CID 19788891

IUPAC1,1,3,3,4,4-hexafluoro-2-(trifluoromethyl)hex-1-ene
SMILESCCC(F)(F)C(F)(F)C(=C(F)F)C(F)(F)F
InChIInChI=1S/C7H5F9/c1-2-5(10,11)6(12,13)3(4(8)9)7(14,15)16/h2H2,1H3
InChIKeyDIHSJXFGRZMJAD-UHFFFAOYSA-N
MW260.10 g/mol
LogP4.38
Rot. Bonds3

About 1,1,3,3,4,4-hexafluoro-2-(trifluoromethyl)hex-1-ene

1,1,3,3,4,4-hexafluoro-2-(trifluoromethyl)hex-1-ene (PubChem CID 19788891) has the molecular formula C7H5F9 and a molecular weight of 260.10 g/mol. Its IUPAC name is 1,1,3,3,4,4-hexafluoro-2-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name1,1,3,3,4,4-hexafluoro-2-(trifluoromethyl)hex-1-ene
PubChem CID19788891
Molecular FormulaC7H5F9
Molecular Weight260.10 g/mol
Exact Mass260.02
IUPAC Name1,1,3,3,4,4-hexafluoro-2-(trifluoromethyl)hex-1-ene
SMILESCCC(F)(F)C(F)(F)C(=C(F)F)C(F)(F)F
InChIInChI=1S/C7H5F9/c1-2-5(10,11)6(12,13)3(4(8)9)7(14,15)16/h2H2,1H3
InChIKeyDIHSJXFGRZMJAD-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.10
LogP ≤ 54.38
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 1,1,3,3,4,4-hexafluoro-2-(trifluoromethyl)hex-1-ene?
The IUPAC name of 1,1,3,3,4,4-hexafluoro-2-(trifluoromethyl)hex-1-ene (CID 19788891) is 1,1,3,3,4,4-hexafluoro-2-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 1,1,3,3,4,4-hexafluoro-2-(trifluoromethyl)hex-1-ene?
The canonical SMILES for 1,1,3,3,4,4-hexafluoro-2-(trifluoromethyl)hex-1-ene is CCC(F)(F)C(F)(F)C(=C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,3,3,4,4-hexafluoro-2-(trifluoromethyl)hex-1-ene?
The InChIKey is DIHSJXFGRZMJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9/c1-2-5(10,11)6(12,13)3(4(8)9)7(14,15)16/h2H2,1H3.
What are the key properties of 1,1,3,3,4,4-hexafluoro-2-(trifluoromethyl)hex-1-ene?
1,1,3,3,4,4-hexafluoro-2-(trifluoromethyl)hex-1-ene has a molecular weight of 260.10 g/mol, XLogP of 4.38, 3 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-hexafluoro-2-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 19788891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).