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2,2,3,4,4,4-Hexafluorobutyl 11-pyridin-2-ylundecanoate

HCID 21409998
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(CCCCCCCCCCc1ccccn1)OCC(F)(F)C(F)C(F)(F)F
InChIKey
BVLSLTIYCRCCIK-UHFFFAOYSA-N
Molecular formula
C20H27F6NO2
Average molar mass
427.4 g/mol

Names & identifiers

Preferred name
2,2,3,4,4,4-Hexafluorobutyl 11-pyridin-2-ylundecanoate
IUPAC
2,2,3,4,4,4-hexafluorobutyl 11-pyridin-2-ylundecanoate

Database identifiers

PubChem CID
21409998

Properties

Computed structural properties

XLogP
7.1
Topological polar surface area
39.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
15
Heavy atoms
29
Formal charge
0
Complexity
459

Related reactions

2 records
New reaction record
HRID 674874 reaction equation
HRID 674874As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1133178 reaction equation
HRID 1133178As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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