(Z)-4-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethenylsulfonyl]but-3-en-2-one

C18H14F2O3S — CID 173173870

IUPAC(Z)-4-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethenylsulfonyl]but-3-en-2-one
SMILESCC(=O)/C=C(/c1ccc(F)cc1)S(=O)(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C18H14F2O3S/c1-13(21)12-18(15-4-8-17(20)9-5-15)24(22,23)11-10-14-2-6-16(19)7-3-14/h2-12H,1H3/b11-10?,18-12-
InChIKeyWBGKFTHRDPROGX-UBUULKGWSA-N
MW348.37 g/mol
LogP3.98
Rot. Bonds5

About (Z)-4-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethenylsulfonyl]but-3-en-2-one

(Z)-4-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethenylsulfonyl]but-3-en-2-one (PubChem CID 173173870) has the molecular formula C18H14F2O3S and a molecular weight of 348.37 g/mol. Its IUPAC name is (Z)-4-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethenylsulfonyl]but-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethenylsulfonyl]but-3-en-2-one
PubChem CID173173870
Molecular FormulaC18H14F2O3S
Molecular Weight348.37 g/mol
Exact Mass348.06
IUPAC Name(Z)-4-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethenylsulfonyl]but-3-en-2-one
SMILESCC(=O)/C=C(/c1ccc(F)cc1)S(=O)(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C18H14F2O3S/c1-13(21)12-18(15-4-8-17(20)9-5-15)24(22,23)11-10-14-2-6-16(19)7-3-14/h2-12H,1H3/b11-10?,18-12-
InChIKeyWBGKFTHRDPROGX-UBUULKGWSA-N
XLogP3.98
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (Z)-4-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethenylsulfonyl]but-3-en-2-one?
The IUPAC name of (Z)-4-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethenylsulfonyl]but-3-en-2-one (CID 173173870) is (Z)-4-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethenylsulfonyl]but-3-en-2-one.
What is the SMILES notation for (Z)-4-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethenylsulfonyl]but-3-en-2-one?
The canonical SMILES for (Z)-4-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethenylsulfonyl]but-3-en-2-one is CC(=O)/C=C(/c1ccc(F)cc1)S(=O)(=O)C=Cc1ccc(F)cc1.
What is the InChIKey of (Z)-4-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethenylsulfonyl]but-3-en-2-one?
The InChIKey is WBGKFTHRDPROGX-UBUULKGWSA-N. The full InChI is InChI=1S/C18H14F2O3S/c1-13(21)12-18(15-4-8-17(20)9-5-15)24(22,23)11-10-14-2-6-16(19)7-3-14/h2-12H,1H3/b11-10?,18-12-.
What are the key properties of (Z)-4-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethenylsulfonyl]but-3-en-2-one?
(Z)-4-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethenylsulfonyl]but-3-en-2-one has a molecular weight of 348.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethenylsulfonyl]but-3-en-2-one is sourced from PubChem (CID 173173870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).