Basic information
- CAS
1247445-36-8- Standard SMILES
CCC(N)COCC(F)(F)F- InChIKey
WNGKXRMUFJDQEE-UHFFFAOYSA-N- Molecular formula
- C6H12F3NO
- Average molar mass
- 171.16 g/mol
- Monoisotopic mass
- 171.08709849
Names & identifiers
- Preferred name
- 1-(2,2,2-Trifluoroethoxy)butan-2-amine
- IUPAC
- 1-(2,2,2-trifluoroethoxy)butan-2-amine
Names & synonyms
1-(2,2,2-trifluoroethoxy)butan-2-amine1247445-36-8RefChem:420121984-197-7XZB44536AKOS011316279CS-0240217EN300-226794
Database identifiers
- CAS
1247445-36-8- PubChem CID
- 62039747
- EC Number
- 984-197-7
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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