4-fluoro-1,5-diphenylhex-4-en-3-one

C18H17FO — CID 57365966

IUPAC4-fluoro-1,5-diphenylhex-4-en-3-one
SMILESCC(=C(F)C(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17FO/c1-14(16-10-6-3-7-11-16)18(19)17(20)13-12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3
InChIKeyRTSNGGLMKRFJGO-UHFFFAOYSA-N
MW268.33 g/mol
LogP4.59
Rot. Bonds5

About 4-fluoro-1,5-diphenylhex-4-en-3-one

4-fluoro-1,5-diphenylhex-4-en-3-one (PubChem CID 57365966) has the molecular formula C18H17FO and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-fluoro-1,5-diphenylhex-4-en-3-one.

Molecular Properties

Compound Name4-fluoro-1,5-diphenylhex-4-en-3-one
PubChem CID57365966
Molecular FormulaC18H17FO
Molecular Weight268.33 g/mol
Exact Mass268.13
IUPAC Name4-fluoro-1,5-diphenylhex-4-en-3-one
SMILESCC(=C(F)C(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17FO/c1-14(16-10-6-3-7-11-16)18(19)17(20)13-12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3
InChIKeyRTSNGGLMKRFJGO-UHFFFAOYSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,5-diphenylhex-4-en-3-one?
The IUPAC name of 4-fluoro-1,5-diphenylhex-4-en-3-one (CID 57365966) is 4-fluoro-1,5-diphenylhex-4-en-3-one.
What is the SMILES notation for 4-fluoro-1,5-diphenylhex-4-en-3-one?
The canonical SMILES for 4-fluoro-1,5-diphenylhex-4-en-3-one is CC(=C(F)C(=O)CCc1ccccc1)c1ccccc1.
What is the InChIKey of 4-fluoro-1,5-diphenylhex-4-en-3-one?
The InChIKey is RTSNGGLMKRFJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO/c1-14(16-10-6-3-7-11-16)18(19)17(20)13-12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3.
What are the key properties of 4-fluoro-1,5-diphenylhex-4-en-3-one?
4-fluoro-1,5-diphenylhex-4-en-3-one has a molecular weight of 268.33 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,5-diphenylhex-4-en-3-one is sourced from PubChem (CID 57365966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).