4-(1,1,1,3,3,3-Hexafluoro-2-(methoxymethoxy)propan-2-yl)-2-propylphenol

HCID 59201037

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1O
InChIKey: AVUAPCVAJHGSCJ-UHFFFAOYSA-N
Molecular formula: C14H16F6O3
Average molar mass: 346.26 g/mol

Names & identifiers

Preferred name: 4-(1,1,1,3,3,3-Hexafluoro-2-(methoxymethoxy)propan-2-yl)-2-propylphenol
IUPAC: 4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenol

Names & synonyms

4-(1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl)-2-propylphenolSCHEMBL5426204-[1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)oxypropan-2-yl]-2-propylphenol

Database identifiers

PubChem CID: 59201037

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 6
Heavy atoms: 23
Formal charge: 0
Complexity: 355

Related reactions

13 records

New reaction record

HRID 172220As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 178623As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 197324As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1123618As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1144347As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1690136As productuspto-grants-2012_04

HRID 1690161As reactantuspto-grants-2012_04

HRID 1690178As reactantuspto-grants-2012_04

Compound notes

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