Basic information
- CAS
63689-57-6- Standard SMILES
CC(C)(C)OC(=O)NC(F)(F)F- InChIKey
BBGGQYSKSQHAGM-UHFFFAOYSA-N- Molecular formula
- C6H10F3NO2
- Average molar mass
- 185.14 g/mol
- Monoisotopic mass
- 185.06636305
Names & identifiers
- Preferred name
- Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl N-(trifluoromethyl)carbamate
- English name
- Trifluoromethylcarbamic acid 1,1-dimethylethyl ester
- Molecular formula
- C6H10F3NO2
- Molecular weight
- 185.14
Names & synonyms
63689-57-6Carbamic acid, (trifluoromethyl)-, 1,1-dimethylethyl esterDTXSID90337872RefChem:332249DTXCID70288959tert-butyl N-(trifluoromethyl)carbamatetert-butyl (trifluoromethyl)carbamateTrifluoromethylcarbamic acid 1,1-dimethylethyl esterSCHEMBL28918296tert-Butyl trifluoromethylcarbamate #DB-309471Trifluoromethyl-carbamic acid tert-butyl ester
Show more names
Carbamic acid, N-(trifluoromethyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
63689-57-6- PubChem CID
- 545224
- DTXSID
DTXSID90337872- Nikkaji
- J132.139K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 145.2 · 145.2±40.0 °C(Predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- pka
- 7.05 · 7.05±0.46(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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