(E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one

C19H16F4O2 — CID 5290862

IUPAC(E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one
SMILESO=C(/C=C/c1ccccc1)CC(O)(c1ccccc1)C(F)(F)C(F)F
InChIInChI=1S/C19H16F4O2/c20-17(21)19(22,23)18(25,15-9-5-2-6-10-15)13-16(24)12-11-14-7-3-1-4-8-14/h1-12,17,25H,13H2/b12-11+
InChIKeyLRSCXAZTJXRCCO-VAWYXSNFSA-N
MW352.33 g/mol
LogP4.45
Rot. Bonds7

About (E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one

(E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one (PubChem CID 5290862) has the molecular formula C19H16F4O2 and a molecular weight of 352.33 g/mol. Its IUPAC name is (E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one.

Molecular Properties

Compound Name(E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one
PubChem CID5290862
Molecular FormulaC19H16F4O2
Molecular Weight352.33 g/mol
Exact Mass352.11
IUPAC Name(E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one
SMILESO=C(/C=C/c1ccccc1)CC(O)(c1ccccc1)C(F)(F)C(F)F
InChIInChI=1S/C19H16F4O2/c20-17(21)19(22,23)18(25,15-9-5-2-6-10-15)13-16(24)12-11-14-7-3-1-4-8-14/h1-12,17,25H,13H2/b12-11+
InChIKeyLRSCXAZTJXRCCO-VAWYXSNFSA-N
XLogP4.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one?
The IUPAC name of (E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one (CID 5290862) is (E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one.
What is the SMILES notation for (E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one?
The canonical SMILES for (E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one is O=C(/C=C/c1ccccc1)CC(O)(c1ccccc1)C(F)(F)C(F)F.
What is the InChIKey of (E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one?
The InChIKey is LRSCXAZTJXRCCO-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H16F4O2/c20-17(21)19(22,23)18(25,15-9-5-2-6-10-15)13-16(24)12-11-14-7-3-1-4-8-14/h1-12,17,25H,13H2/b12-11+.
What are the key properties of (E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one?
(E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one has a molecular weight of 352.33 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one is sourced from PubChem (CID 5290862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).