[(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride

C24H28FOP — CID 87056097

IUPAC[(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride
SMILESC[C@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)O.[F-]
InChIInChI=1S/C24H28OP.FH/c1-20(24(2,3)25)19-26(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23;/h4-18,20,25H,19H2,1-3H3;1H/q+1;/p-1/t20-;/m1./s1
InChIKeyNFLAQGYUDVKMRG-VEIFNGETSA-M
MW382.46 g/mol
LogP1.39
Rot. Bonds6

About [(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride

[(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride (PubChem CID 87056097) has the molecular formula C24H28FOP and a molecular weight of 382.46 g/mol. Its IUPAC name is [(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride.

Molecular Properties

Compound Name[(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride
PubChem CID87056097
Molecular FormulaC24H28FOP
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride
SMILESC[C@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)O.[F-]
InChIInChI=1S/C24H28OP.FH/c1-20(24(2,3)25)19-26(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23;/h4-18,20,25H,19H2,1-3H3;1H/q+1;/p-1/t20-;/m1./s1
InChIKeyNFLAQGYUDVKMRG-VEIFNGETSA-M
XLogP1.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-hydroxypropyl]-triphenylphosphanium
CID 14895269
(3-hydroxy-2-methyl-4-oxo-3,4-diphenylbutyl)-triphenylphosphanium
CID 6332817
2-bromopropyl(triphenyl)phosphanium;hydrobromide
CID 174746929
[2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium
CID 101168782
[(2S)-2-methoxypropyl]-triphenylphosphanium
CID 98159687
[(2S)-2-methylbut-3-enyl]-triphenylphosphanium
CID 10904649
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
2,2-dibromoethyl(triphenyl)phosphanium
CID 54589542
(3,3-dimethyl-2-oxobutyl)-triphenylphosphanium bromide
CID 19850748
triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide
CID 74081310
dodecyl(triphenyl)phosphanium fluoride
CID 88725542

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride?
The IUPAC name of [(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride (CID 87056097) is [(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride.
What is the SMILES notation for [(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride?
The canonical SMILES for [(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride is C[C@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)O.[F-].
What is the InChIKey of [(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride?
The InChIKey is NFLAQGYUDVKMRG-VEIFNGETSA-M. The full InChI is InChI=1S/C24H28OP.FH/c1-20(24(2,3)25)19-26(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23;/h4-18,20,25H,19H2,1-3H3;1H/q+1;/p-1/t20-;/m1./s1.
What are the key properties of [(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride?
[(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride has a molecular weight of 382.46 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride is sourced from PubChem (CID 87056097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).