1,1,3,3-tetrafluorohex-5-en-2-one

C6H6F4O — CID 58705068

IUPAC1,1,3,3-tetrafluorohex-5-en-2-one
SMILESC=CCC(F)(F)C(=O)C(F)F
InChIInChI=1S/C6H6F4O/c1-2-3-6(9,10)4(11)5(7)8/h2,5H,1,3H2
InChIKeyJIICTBAKIXMPLN-UHFFFAOYSA-N
MW170.10 g/mol
LogP2.03
Rot. Bonds4

About 1,1,3,3-tetrafluorohex-5-en-2-one

1,1,3,3-tetrafluorohex-5-en-2-one (PubChem CID 58705068) has the molecular formula C6H6F4O and a molecular weight of 170.10 g/mol. Its IUPAC name is 1,1,3,3-tetrafluorohex-5-en-2-one.

Molecular Properties

Compound Name1,1,3,3-tetrafluorohex-5-en-2-one
PubChem CID58705068
Molecular FormulaC6H6F4O
Molecular Weight170.10 g/mol
Exact Mass170.04
IUPAC Name1,1,3,3-tetrafluorohex-5-en-2-one
SMILESC=CCC(F)(F)C(=O)C(F)F
InChIInChI=1S/C6H6F4O/c1-2-3-6(9,10)4(11)5(7)8/h2,5H,1,3H2
InChIKeyJIICTBAKIXMPLN-UHFFFAOYSA-N
XLogP2.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.10
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1,3,3-tetrafluorohex-5-en-2-one?
The IUPAC name of 1,1,3,3-tetrafluorohex-5-en-2-one (CID 58705068) is 1,1,3,3-tetrafluorohex-5-en-2-one.
What is the SMILES notation for 1,1,3,3-tetrafluorohex-5-en-2-one?
The canonical SMILES for 1,1,3,3-tetrafluorohex-5-en-2-one is C=CCC(F)(F)C(=O)C(F)F.
What is the InChIKey of 1,1,3,3-tetrafluorohex-5-en-2-one?
The InChIKey is JIICTBAKIXMPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4O/c1-2-3-6(9,10)4(11)5(7)8/h2,5H,1,3H2.
What are the key properties of 1,1,3,3-tetrafluorohex-5-en-2-one?
1,1,3,3-tetrafluorohex-5-en-2-one has a molecular weight of 170.10 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrafluorohex-5-en-2-one is sourced from PubChem (CID 58705068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).