4-Cyclopropanesulfonyl-1,2-difluoro-benzene

HCID 69042190

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=S(=O)(c1ccc(F)c(F)c1)C1CC1
InChIKey: YXPGLMUHZXKADJ-UHFFFAOYSA-N
Molecular formula: C9H8F2O2S
Average molar mass: 218.22 g/mol

Names & identifiers

Preferred name: 4-Cyclopropanesulfonyl-1,2-difluoro-benzene
IUPAC: 4-cyclopropylsulfonyl-1,2-difluorobenzene

Names & synonyms

4-cyclopropanesulfonyl-1,2-difluoro-benzene845617-66-54-cyclopropylsulfonyl-1,2-difluorobenzene4-Cyclopropanesulfonyl-1,2-difluorobenzene4-(cyclopropylsulfonyl)-1,2-difluorobenzeneSCHEMBL4433485YXPGLMUHZXKADJ-UHFFFAOYSA-NH28103A1-04185

Database identifiers

PubChem CID: 69042190

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 305

Related reactions

8 records

New reaction record

HRID 315713As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 830038As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1820800As productuspto-grants-2009_10

HRID 1820801As reactantuspto-grants-2009_10

HRID 2251255As productuspto-grants-2008_01

HRID 2251256As reactantuspto-grants-2008_01

HRID 2374242As productuspto-grants-2008_12

HRID 2374243As reactantuspto-grants-2008_12

Compound notes

Loading…