2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate

C8H20BF4P — CID 87195673

IUPAC2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate
SMILESCCCC(C)C(C)(C)[PH3+].F[B-](F)(F)F
InChIInChI=1S/C8H19P.BF4/c1-5-6-7(2)8(3,4)9;2-1(3,4)5/h7H,5-6,9H2,1-4H3;/q;-1/p+1
InChIKeyFQTSQKUJNNXOCB-UHFFFAOYSA-O
MW234.03 g/mol
LogP4.11
Rot. Bonds3

About 2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate

2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate (PubChem CID 87195673) has the molecular formula C8H20BF4P and a molecular weight of 234.03 g/mol. Its IUPAC name is 2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate.

Molecular Properties

Compound Name2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate
PubChem CID87195673
Molecular FormulaC8H20BF4P
Molecular Weight234.03 g/mol
Exact Mass234.13
IUPAC Name2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate
SMILESCCCC(C)C(C)(C)[PH3+].F[B-](F)(F)F
InChIInChI=1S/C8H19P.BF4/c1-5-6-7(2)8(3,4)9;2-1(3,4)5/h7H,5-6,9H2,1-4H3;/q;-1/p+1
InChIKeyFQTSQKUJNNXOCB-UHFFFAOYSA-O
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.03
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethylhexan-2-ylphosphane;hydrobromide
CID 173157513
2,3-dimethyloctan-2-ylazanium tetrafluoroborate
CID 87195438
2-fluoro-2,3-dimethylhexan-1-amine
CID 107889779
3,3-difluoro-4-methylheptane
CID 146477960
3,4-dimethylheptane-2,2,3-trithiol
CID 166664706
tributyl(tert-butyl)phosphanium tetrafluoroborate
CID 18769345
trichloro(2,3-dimethylhexan-2-yl)silane
CID 170850505
2-chloro-2,3-dimethylhexane;cyclohexane
CID 175373008
(2S,3R)-2-fluoro-3-methylhexane
CID 142291573
ethane;3,3,4-trimethylheptan-1-amine
CID 143679241
4,5,5-trimethyldodecane
CID 123360574
2,2-difluoro-5-propan-2-yloctane
CID 175620292

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate?
The IUPAC name of 2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate (CID 87195673) is 2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate.
What is the SMILES notation for 2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate?
The canonical SMILES for 2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate is CCCC(C)C(C)(C)[PH3+].F[B-](F)(F)F.
What is the InChIKey of 2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate?
The InChIKey is FQTSQKUJNNXOCB-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19P.BF4/c1-5-6-7(2)8(3,4)9;2-1(3,4)5/h7H,5-6,9H2,1-4H3;/q;-1/p+1.
What are the key properties of 2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate?
2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate has a molecular weight of 234.03 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate is sourced from PubChem (CID 87195673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).