Benzene, 2-chloro-1-(3-iodopropoxy)-4-(2,2,2-trifluoroethyl)-

HCID 69050445

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Basic information

CAS: 653578-58-6
Standard SMILES: FC(F)(F)Cc1ccc(OCCCI)c(Cl)c1
InChIKey: SWBOBXCYAMPJJW-UHFFFAOYSA-N
Molecular formula: C11H11ClF3IO
Average molar mass: 378.55 g/mol
Monoisotopic mass: 377.94952531

Names & identifiers

Preferred name: Benzene, 2-chloro-1-(3-iodopropoxy)-4-(2,2,2-trifluoroethyl)-
IUPAC: 2-chloro-1-(3-iodopropoxy)-4-(2,2,2-trifluoroethyl)benzene

Names & synonyms

653578-58-6Benzene, 2-chloro-1-(3-iodopropoxy)-4-(2,2,2-trifluoroethyl)-SCHEMBL4453941DTXSID907395942-CHLORO-1-(3-IODOPROPOXY)-4-(2,2,2-TRIFLUOROETHYL)BENZENE2-Chloro-1-(3-iodo-propoxy)4(2,2,2-trifluoro-ethyl)benzene

Database identifiers

CAS: 653578-58-6
PubChem CID: 69050445
DTXSID: DTXSID90739594

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 225

Related reactions

2 records

New reaction record

HRID 2113163As reactantuspto-grants-2009_04

HRID 2113170As reactantuspto-grants-2009_04

Compound notes

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