2,2,3,4,4,4-Hexafluorobutyl 11-bromoundecylate

HCID 21409996

Notes Reactions

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Basic information

Standard SMILES: O=C(CCCCCCCCCCBr)OCC(F)(F)C(F)C(F)(F)F
InChIKey: NOCPOGOYIJUVPI-UHFFFAOYSA-N
Molecular formula: C15H23BrF6O2
Average molar mass: 429.24 g/mol

Names & identifiers

Preferred name: 2,2,3,4,4,4-Hexafluorobutyl 11-bromoundecylate
IUPAC: 2,2,3,4,4,4-hexafluorobutyl 11-bromoundecanoate

Names & synonyms

2,2,3,4,4,4-hexafluorobutyl 11-bromoundecylateSCHEMBL11751207

Database identifiers

PubChem CID: 21409996

Properties

Computed structural properties

XLogP: 6.8
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 14
Heavy atoms: 24
Formal charge: 0
Complexity: 349

Related reactions

10 records

New reaction record

HRID 160047As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 167256As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 674874As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1133178As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1572473As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2071915As productuspto-grants-1977_09

HRID 2071917As productuspto-grants-1977_09

HRID 2071918As reactantuspto-grants-1977_09

Compound notes

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