Basic information
- CAS
697-94-9- Standard SMILES
Cn1nnnc1C(F)(F)F- InChIKey
UYDABCMRKBCMLZ-UHFFFAOYSA-N- Molecular formula
- C3H3F3N4
- Average molar mass
- 152.08 g/mol
- Monoisotopic mass
- 152.0309806
Names & identifiers
- Preferred name
- 1-Methyl-5-(trifluoromethyl)tetrazole
- IUPAC
- 1-methyl-5-(trifluoromethyl)tetrazole
- English name
- 1-Methyl-5-(trifluoromethyl)-1H-tetrazole
- Molecular weight
- 0
Names & synonyms
1-Methyl-5-(trifluoromethyl)tetrazole697-94-91H-Tetrazole, 1-methyl-5-(trifluoromethyl)-DTXSID80301229RefChem:76340DTXCID80252363UYDABCMRKBCMLZ-UHFFFAOYSA-N1-Methyl-5-(trifluoromethyl)-1H-tetrazole1H-Tetrazole,1-methyl-5-(trifluoromethyl)-NSC-141916NSC1419161-Methyl-5-(trifluoromethyl)-1H-1,2,3,4-tetrazole
Show more names
5NQ4K6G99ASCHEMBL4405640SCHEMBL165395801-methyl-5-trifluoromethyltetrazoleMFCD18089077AKOS025211622DS-0030581-Methyl-5-(trifluoromethyl)-1H-tetraazole #
Database identifiers
- CAS
697-94-9- PubChem CID
- 285145
- DTXSID
DTXSID80301229- UNII
- 5NQ4K6G99A
- Nikkaji
- J100.066G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- FDA UNII
- 5 NQ4K6G99A · 5NQ4K6G99A
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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