6,6,6-trifluoro-5-(trifluoromethyl)hexa-1,4-diene

C7H6F6 — CID 23554143

IUPAC6,6,6-trifluoro-5-(trifluoromethyl)hexa-1,4-diene
SMILESC=CCC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6/c1-2-3-4-5(6(8,9)10)7(11,12)13/h2,4H,1,3H2
InChIKeyGNAAVLZYHDCUGO-UHFFFAOYSA-N
MW204.11 g/mol
LogP3.61
Rot. Bonds2

About 6,6,6-trifluoro-5-(trifluoromethyl)hexa-1,4-diene

6,6,6-trifluoro-5-(trifluoromethyl)hexa-1,4-diene (PubChem CID 23554143) has the molecular formula C7H6F6 and a molecular weight of 204.11 g/mol. Its IUPAC name is 6,6,6-trifluoro-5-(trifluoromethyl)hexa-1,4-diene.

Molecular Properties

Compound Name6,6,6-trifluoro-5-(trifluoromethyl)hexa-1,4-diene
PubChem CID23554143
Molecular FormulaC7H6F6
Molecular Weight204.11 g/mol
Exact Mass204.04
IUPAC Name6,6,6-trifluoro-5-(trifluoromethyl)hexa-1,4-diene
SMILESC=CCC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6/c1-2-3-4-5(6(8,9)10)7(11,12)13/h2,4H,1,3H2
InChIKeyGNAAVLZYHDCUGO-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 53.61
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 6,6,6-trifluoro-5-(trifluoromethyl)hexa-1,4-diene?
The IUPAC name of 6,6,6-trifluoro-5-(trifluoromethyl)hexa-1,4-diene (CID 23554143) is 6,6,6-trifluoro-5-(trifluoromethyl)hexa-1,4-diene.
What is the SMILES notation for 6,6,6-trifluoro-5-(trifluoromethyl)hexa-1,4-diene?
The canonical SMILES for 6,6,6-trifluoro-5-(trifluoromethyl)hexa-1,4-diene is C=CCC=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-5-(trifluoromethyl)hexa-1,4-diene?
The InChIKey is GNAAVLZYHDCUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6/c1-2-3-4-5(6(8,9)10)7(11,12)13/h2,4H,1,3H2.
What are the key properties of 6,6,6-trifluoro-5-(trifluoromethyl)hexa-1,4-diene?
6,6,6-trifluoro-5-(trifluoromethyl)hexa-1,4-diene has a molecular weight of 204.11 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-5-(trifluoromethyl)hexa-1,4-diene is sourced from PubChem (CID 23554143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).