3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hex-1-ene

C7H5F9 — CID 88552258

IUPAC3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hex-1-ene
SMILESC=CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F9/c1-2-4(8,9)3-5(10,6(11,12)13)7(14,15)16/h2H,1,3H2
InChIKeyGOXVOAHNFMOROY-UHFFFAOYSA-N
MW260.10 g/mol
LogP4.03
Rot. Bonds3

About 3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hex-1-ene

3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hex-1-ene (PubChem CID 88552258) has the molecular formula C7H5F9 and a molecular weight of 260.10 g/mol. Its IUPAC name is 3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hex-1-ene
PubChem CID88552258
Molecular FormulaC7H5F9
Molecular Weight260.10 g/mol
Exact Mass260.02
IUPAC Name3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hex-1-ene
SMILESC=CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F9/c1-2-4(8,9)3-5(10,6(11,12)13)7(14,15)16/h2H,1,3H2
InChIKeyGOXVOAHNFMOROY-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hex-1-ene?
The IUPAC name of 3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hex-1-ene (CID 88552258) is 3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hex-1-ene?
The canonical SMILES for 3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hex-1-ene is C=CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hex-1-ene?
The InChIKey is GOXVOAHNFMOROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9/c1-2-4(8,9)3-5(10,6(11,12)13)7(14,15)16/h2H,1,3H2.
What are the key properties of 3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hex-1-ene?
3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hex-1-ene has a molecular weight of 260.10 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 88552258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).