Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
Home
/
Compound
3-Fluoro-3,3-dinitropropanol
HCID
13615388
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
O=[N+]([O-])C(F)(CCO)[N+](=O)[O-]
InChIKey
DPTHEDXXVBIDSM-UHFFFAOYSA-N
Molecular formula
C3H5FN2O5
Average molar mass
168.08 g/mol
Names & identifiers
Preferred name
3-Fluoro-3,3-dinitropropanol
IUPAC
3-fluoro-3,3-dinitropropan-1-ol
Names & synonyms
3-fluoro-3,3-dinitropropanol
DPTHEDXXVBIDSM-UHFFFAOYSA-N
3-fluoro-3,3-dinitro-1-propanol
Database identifiers
PubChem CID
13615388
Properties
Computed structural properties
XLogP
0.1
Topological polar surface area
112 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
158
Show all 8
Show all 8 / 8
Related reactions
1 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
231917
As reactant
uspto-grants-1989_07
Compound notes
Loading…