(Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one

C11H6F6O2 — CID 11811257

IUPAC(Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one
SMILESO=C(/C=C(\Oc1ccccc1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F6O2/c12-10(13,14)8(18)6-9(11(15,16)17)19-7-4-2-1-3-5-7/h1-6H/b9-6-
InChIKeyXDNYACIZFGNMSV-TWGQIWQCSA-N
MW284.16 g/mol
LogP3.64
Rot. Bonds3

About (Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one

(Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one (PubChem CID 11811257) has the molecular formula C11H6F6O2 and a molecular weight of 284.16 g/mol. Its IUPAC name is (Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one.

Molecular Properties

Compound Name(Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one
PubChem CID11811257
Molecular FormulaC11H6F6O2
Molecular Weight284.16 g/mol
Exact Mass284.03
IUPAC Name(Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one
SMILESO=C(/C=C(\Oc1ccccc1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F6O2/c12-10(13,14)8(18)6-9(11(15,16)17)19-7-4-2-1-3-5-7/h1-6H/b9-6-
InChIKeyXDNYACIZFGNMSV-TWGQIWQCSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one 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 (Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one?
The IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one (CID 11811257) is (Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one.
What is the SMILES notation for (Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one?
The canonical SMILES for (Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one is O=C(/C=C(\Oc1ccccc1)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one?
The InChIKey is XDNYACIZFGNMSV-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H6F6O2/c12-10(13,14)8(18)6-9(11(15,16)17)19-7-4-2-1-3-5-7/h1-6H/b9-6-.
What are the key properties of (Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one?
(Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one has a molecular weight of 284.16 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,5,5,5-hexafluoro-4-phenoxypent-3-en-2-one is sourced from PubChem (CID 11811257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).