1,1,6-trifluorohexa-2,4-diene

C6H7F3 — CID 173439953

IUPAC1,1,6-trifluorohexa-2,4-diene
SMILESFCC=CC=CC(F)F
InChIInChI=1S/C6H7F3/c7-5-3-1-2-4-6(8)9/h1-4,6H,5H2
InChIKeyUHOWESNUNGXVKW-UHFFFAOYSA-N
MW136.12 g/mol
LogP2.33
Rot. Bonds3

About 1,1,6-trifluorohexa-2,4-diene

1,1,6-trifluorohexa-2,4-diene (PubChem CID 173439953) has the molecular formula C6H7F3 and a molecular weight of 136.12 g/mol. Its IUPAC name is 1,1,6-trifluorohexa-2,4-diene.

Molecular Properties

Compound Name1,1,6-trifluorohexa-2,4-diene
PubChem CID173439953
Molecular FormulaC6H7F3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name1,1,6-trifluorohexa-2,4-diene
SMILESFCC=CC=CC(F)F
InChIInChI=1S/C6H7F3/c7-5-3-1-2-4-6(8)9/h1-4,6H,5H2
InChIKeyUHOWESNUNGXVKW-UHFFFAOYSA-N
XLogP2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,6-trifluorohexa-2,4-diene?
The IUPAC name of 1,1,6-trifluorohexa-2,4-diene (CID 173439953) is 1,1,6-trifluorohexa-2,4-diene.
What is the SMILES notation for 1,1,6-trifluorohexa-2,4-diene?
The canonical SMILES for 1,1,6-trifluorohexa-2,4-diene is FCC=CC=CC(F)F.
What is the InChIKey of 1,1,6-trifluorohexa-2,4-diene?
The InChIKey is UHOWESNUNGXVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3/c7-5-3-1-2-4-6(8)9/h1-4,6H,5H2.
What are the key properties of 1,1,6-trifluorohexa-2,4-diene?
1,1,6-trifluorohexa-2,4-diene has a molecular weight of 136.12 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,6-trifluorohexa-2,4-diene is sourced from PubChem (CID 173439953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).