4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene

C14H10F18 — CID 160505772

IUPAC4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene
SMILESCC=CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F.CC=CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/2C7H5F9/c2*1-2-3-4(8,6(11,12)13)5(9,10)7(14,15)16/h2*2-3H,1H3
InChIKeyQSJOEGSYDYAMID-UHFFFAOYSA-N
MW520.20 g/mol
LogP8.06
Rot. Bonds4

About 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene

4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene (PubChem CID 160505772) has the molecular formula C14H10F18 and a molecular weight of 520.20 g/mol. Its IUPAC name is 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene.

Molecular Properties

Compound Name4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene
PubChem CID160505772
Molecular FormulaC14H10F18
Molecular Weight520.20 g/mol
Exact Mass520.05
IUPAC Name4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene
SMILESCC=CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F.CC=CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/2C7H5F9/c2*1-2-3-4(8,6(11,12)13)5(9,10)7(14,15)16/h2*2-3H,1H3
InChIKeyQSJOEGSYDYAMID-UHFFFAOYSA-N
XLogP8.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.20
LogP ≤ 58.06
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'}

Analyze 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene?
The IUPAC name of 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene (CID 160505772) is 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene.
What is the SMILES notation for 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene?
The canonical SMILES for 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene is CC=CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F.CC=CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene?
The InChIKey is QSJOEGSYDYAMID-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H5F9/c2*1-2-3-4(8,6(11,12)13)5(9,10)7(14,15)16/h2*2-3H,1H3.
What are the key properties of 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene?
4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene has a molecular weight of 520.20 g/mol, XLogP of 8.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene is sourced from PubChem (CID 160505772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).