2-Amino-6-trifluoromethylbenzonorbornene
Basic information
- CAS
83118-50-7- Standard SMILES
N[C@@H]1C[C@@H]2C[C@H]1c1ccc(C(F)(F)F)cc12- InChIKey
ZLFRPMHJVVIOIV-UHFFFAOYSA-N- Molecular formula
- C12H12F3N
- Average molar mass
- 227.22 g/mol
- Monoisotopic mass
- 227.09218387
Overview
RN given refers to (all-alpha)-isomer; structure given in first source
Names & identifiers
- Preferred name
- 2-Amino-6-trifluoromethylbenzonorbornene
- IUPAC
- (1S,8S,9R)-4-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-amine
- English name
- 2-amino-6-trifluoromethylbenzonorbornene
- Molecular weight
- 0
Names & synonyms
2-Amino-6-trifluoromethylbenzonorbornene2-AtfmbRefChem:8533283118-50-7(1S,8S,9R)-4-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-amine1,4-Methanonaphthalen-2-amine, 1,2,3,4-tetrahydro-6-(trifluoromethyl)-, (1alpha,2alpha,4alpha)-
Database identifiers
- CAS
83118-50-7- PubChem CID
- 134161
- Nikkaji
- J1.588.114C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Experimental & physicochemical properties
LogP3.21
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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