5-Fluoroisochroman

Substructure search Find similar structures

Basic information

CAS: 182949-87-7
Standard SMILES: Fc1cccc2c1CCOC2
InChIKey: VTYYNXMEICYCDH-UHFFFAOYSA-N
Molecular formula: C9H9FO
Average molar mass: 152.16 g/mol

Names & identifiers

Preferred name: 5-Fluoroisochroman
IUPAC: 5-fluoro-3,4-dihydro-1H-isochromene
English name: 1H-2-Benzopyran,5-fluoro-3,4-dihydro-(9CI)
Molecular formula: C9H9FO
Molecular weight: 152.17

Names & synonyms

5-fluoroisochroman182949-87-75-FLUORO-3,4-DIHYDRO-1H-2-BENZOPYRAN5-fluoro-3,4-dihydro-1H-isochromene1H-2-Benzopyran,5-fluoro-3,4-dihydro-(9CI)MFCD184163593,4-Dihydro-5-fluoro1H-2-benzopyranSY362854N146015-fluoroisochromane1H-2-Benzopyran, 5-fluoro-3,4-dihydro-

Database identifiers

CAS: 182949-87-7
Nikkaji: J779.141K

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…