5-(Trifluoromethyl)benzene-1,2,3-triamine
Basic information
- CAS
17661-60-8- Standard SMILES
Nc1cc(C(F)(F)F)cc(N)c1N- InChIKey
KXZORAYXGDXVRZ-UHFFFAOYSA-N- Molecular formula
- C7H8F3N3
- Average molar mass
- 191.15 g/mol
- Monoisotopic mass
- 191.06703175
Names & identifiers
- Preferred name
- 5-(Trifluoromethyl)benzene-1,2,3-triamine
- IUPAC
- 5-(trifluoromethyl)benzene-1,2,3-triamine
Names & synonyms
5-(trifluoromethyl)benzene-1,2,3-triamine17661-60-81,2,3-Benzenetriamine, 5-(trifluoromethyl)-(9CI)QR6PT9EDY31,2,3-Benzenetriamine, 5-(trifluoromethyl)-NSC-3511245-(Trifluoromethyl)-1,2,3-benzenetriamineNSC3511241,2,3-Benzenetriamine, 5-(trifluoromethyl)- (9CI)NSC 351124UNII-QR6PT9EDY3SCHEMBL27202379
Show more names
DTXSID90170165KXZORAYXGDXVRZ-UHFFFAOYSA-N1,3-Benzenetriamine, 5-(trifluoromethyl)-alpha,alpha,alpha-Trifluorotoluene-3,4,5-triamineToluene-3,4,5-triamine, alpha,alpha,alpha-trifluoro-
Database identifiers
- CAS
17661-60-8- PubChem CID
- 100706
- DTXSID
DTXSID90170165- UNII
- QR6PT9EDY3
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
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Related reactions
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Compound notes
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