(E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one

C18H15F3O2 — CID 5290861

IUPAC(E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one
SMILESO=C(/C=C/c1ccccc1)CC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H15F3O2/c19-18(20,21)17(23,15-9-5-2-6-10-15)13-16(22)12-11-14-7-3-1-4-8-14/h1-12,23H,13H2/b12-11+
InChIKeyJHXCGMNQFVYVCX-VAWYXSNFSA-N
MW320.31 g/mol
LogP4.11
Rot. Bonds5

About (E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one

(E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one (PubChem CID 5290861) has the molecular formula C18H15F3O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is (E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one.

Molecular Properties

Compound Name(E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one
PubChem CID5290861
Molecular FormulaC18H15F3O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name(E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one
SMILESO=C(/C=C/c1ccccc1)CC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H15F3O2/c19-18(20,21)17(23,15-9-5-2-6-10-15)13-16(22)12-11-14-7-3-1-4-8-14/h1-12,23H,13H2/b12-11+
InChIKeyJHXCGMNQFVYVCX-VAWYXSNFSA-N
XLogP4.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one?
The IUPAC name of (E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one (CID 5290861) is (E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one.
What is the SMILES notation for (E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one?
The canonical SMILES for (E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one is O=C(/C=C/c1ccccc1)CC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one?
The InChIKey is JHXCGMNQFVYVCX-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H15F3O2/c19-18(20,21)17(23,15-9-5-2-6-10-15)13-16(22)12-11-14-7-3-1-4-8-14/h1-12,23H,13H2/b12-11+.
What are the key properties of (E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one?
(E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one has a molecular weight of 320.31 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one is sourced from PubChem (CID 5290861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).