3-(2-Chloro-4-hydroxymethyl-phenyl)-2-(2-chloro-pyridin-4-yl)-1,1,1-trifluoro-butan-2-ol

HCID 25254449

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(c1ccc(CO)cc1Cl)C(O)(c1ccnc(Cl)c1)C(F)(F)F
InChIKey: ORFSLHLRWXMAJM-UHFFFAOYSA-N
Molecular formula: C16H14Cl2F3NO2
Average molar mass: 380.2 g/mol

Names & identifiers

Preferred name: 3-(2-Chloro-4-hydroxymethyl-phenyl)-2-(2-chloro-pyridin-4-yl)-1,1,1-trifluoro-butan-2-ol
IUPAC: 3-[2-chloro-4-(hydroxymethyl)phenyl]-2-(2-chloro-4-pyridinyl)-1,1,1-trifluorobutan-2-ol

Names & synonyms

3-(2-Chloro-4-hydroxymethyl-phenyl)-2-(2-chloro-pyridin-4-yl)-1,1,1-trifluoro-butan-2-olSCHEMBL480058

Database identifiers

PubChem CID: 25254449

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 53.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 427

Related reactions

14 records

New reaction record

HRID 88360As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 104331As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 106029As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 333798As productuspto-grants-2014_11

HRID 333799As reactantuspto-grants-2014_11

HRID 684729As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1095942As productuspto-grants-2012_03

HRID 1095943As reactantuspto-grants-2012_03

Compound notes

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