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8,8,9,9,9-Pentafluorononan-1-ol

HCID 11368296
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OCCCCCCCC(F)(F)C(F)(F)F
InChIKey
WWAFDKXRVSFATD-UHFFFAOYSA-N
Molecular formula
C9H15F5O
Average molar mass
234.21 g/mol
Monoisotopic mass
234.10430591

Names & identifiers

Preferred name
8,8,9,9,9-Pentafluorononan-1-ol
IUPAC
8,8,9,9,9-pentafluorononan-1-ol

Names & synonyms

8,8,9,9,9-pentafluorononan-1-olSCHEMBL68522458,8,9,9,9-pentafluoro-nonan-1-ol

Database identifiers

PubChem CID
11368296

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
15
Formal charge
0
Complexity
166

Related reactions

6 records
New reaction record
HRID 165261 reaction equation
HRID 165261As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 944227 reaction equation
HRID 944227As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1206562 reaction equation
HRID 1206562As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1837215 reaction equation
HRID 1837215As productuspto-grants-2004_08
HRID 1838895 reaction equation
HRID 1838895As productuspto-grants-2004_01
HRID 1838896 reaction equation
HRID 1838896As reactantuspto-grants-2004_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes