Basic information
- CAS
916069-70-0- Standard SMILES
CC(C)(C)OCC(=O)CF- InChIKey
YLPLFJFPXNNLNP-UHFFFAOYSA-N- Molecular formula
- C7H13FO2
- Average molar mass
- 148.18 g/mol
Names & identifiers
- Preferred name
- 1-(Tert-butoxy)-3-fluoropropan-2-one
- IUPAC
- 1-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-one
Names & synonyms
1-(tert-butoxy)-3-fluoropropan-2-one916069-70-0RefChem:428684989-879-8SCHEMBL4363903YLPLFJFPXNNLNP-UHFFFAOYSA-NRLB069701-tert-butoxy-3-fluoro-propan-2-oneEN300-7462235
Database identifiers
- CAS
916069-70-0- PubChem CID
- 57939701
- EC Number
- 989-879-8
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 115
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
5 records
Compound notes
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