Basic information
- Standard SMILES
NCCCc1ccc(F)c(F)c1- InChIKey
RBTIRWQSMUPRAH-UHFFFAOYSA-N- Molecular formula
- C9H11F2N
- Average molar mass
- 171.19 g/mol
- Monoisotopic mass
- 171.08595568
Names & identifiers
- Preferred name
- 3,4-Difluoro-benzenepropanamine
- IUPAC
- 3-(3,4-difluorophenyl)propan-1-amine
Names & synonyms
3,4-DIFLUORO-BENZENEPROPANAMINE377083-92-63-(3,4-DIFLUOROPHENYL)PROPAN-1-AMINEMFCD073740953-(3,4-DIFLUORO-PHENYL)-PROPYLAMINESCHEMBL895460RBTIRWQSMUPRAH-UHFFFAOYSA-N3-(3,4-difluorophenyl)propylamineSBB084440AKOS005217408AB387313-(3,4-difluorophenyl)-1-propylamine
Show more names
DB-228446C78171EN300-1244721F827372
Database identifiers
- PubChem CID
- 22669124
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Related reactions
2 records
Compound notes
Loading…