Basic information
- CAS
58671-29-7- Standard SMILES
O=c1[nH]cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(=O)[nH]1- InChIKey
PLCJTKJJJMWPBA-UHFFFAOYSA-N- Molecular formula
- C10H3F13N2O2
- Average molar mass
- 430.12 g/mol
- Monoisotopic mass
- 429.9986934
Names & identifiers
- Preferred name
- Uracil, 5-tridecafluorohexyl-
- IUPAC
- 5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrimidine-2,4-dione
Names & synonyms
Uracil, 5-tridecafluorohexyl-5-TridecafluorohexyluracilSCHEMBL1271186PLCJTKJJJMWPBA-UHFFFAOYSA-NDTXSID2013535115-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)-2,4(1H,3H)-pyrimidinedione #58671-29-7
Database identifiers
- CAS
58671-29-7- PubChem CID
- 595148
- DTXSID
DTXSID201353511
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 679
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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