5-(4-Fluorophenyl)-6-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene

HCID 9851770

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC3(CC3)C2)cc1
InChIKey: VZCIAZMKVAJRCL-UHFFFAOYSA-N
Molecular formula: C20H19FO2S
Average molar mass: 342.4 g/mol

Names & identifiers

Preferred name: 5-(4-Fluorophenyl)-6-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene
IUPAC: 5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene

Names & synonyms

SC58451168433-84-95-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)spiro[2.4]hept-5-eneCHEMBL92154SC-584515-(4-fluorophenyl)-6-(4-(methylsulfonyl)phenyl)spiro[2.4]hept-5-ene5-(4-fluorophenyl)-6-[4-(methylsulfonyl)phenyl]spiro[2.4]hept-5-eneSCHEMBL215231orb1708567VZCIAZMKVAJRCL-UHFFFAOYSA-NBDBM50049041HY-U00239

Show more names

AKOS040737709CS-7410T128625-(4-Fluoro-phenyl)-6-(4-methanesulfonyl-phenyl)-spiro[2.4]hept-5-ene

Database identifiers

PubChem CID: 9851770
ChEMBL: CHEMBL92154
Nikkaji: J715.793B

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 611

Related reactions

13 records

New reaction record

HRID 101333As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 275483As productuspto-grants-1995_02

HRID 1203551As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1379057As productuspto-grants-1997_09

HRID 1379058As reactantuspto-grants-1997_09

HRID 1379721As productuspto-grants-1997_09

HRID 1379722As reactantuspto-grants-1997_09

HRID 1379729As productuspto-grants-1997_09

Compound notes

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