4-propylheptan-4-ylphosphanium hexafluorophosphate

C10H24F6P2 — CID 142699161

IUPAC4-propylheptan-4-ylphosphanium hexafluorophosphate
SMILESCCCC([PH3+])(CCC)CCC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C10H23P.F6P/c1-4-7-10(11,8-5-2)9-6-3;1-7(2,3,4,5)6/h4-9,11H2,1-3H3;/q;-1/p+1
InChIKeyYLAMOAMDAIMHAG-UHFFFAOYSA-O
MW320.24 g/mol
LogP7.12
Rot. Bonds6

About 4-propylheptan-4-ylphosphanium hexafluorophosphate

4-propylheptan-4-ylphosphanium hexafluorophosphate (PubChem CID 142699161) has the molecular formula C10H24F6P2 and a molecular weight of 320.24 g/mol. Its IUPAC name is 4-propylheptan-4-ylphosphanium hexafluorophosphate.

Molecular Properties

Compound Name4-propylheptan-4-ylphosphanium hexafluorophosphate
PubChem CID142699161
Molecular FormulaC10H24F6P2
Molecular Weight320.24 g/mol
Exact Mass320.13
IUPAC Name4-propylheptan-4-ylphosphanium hexafluorophosphate
SMILESCCCC([PH3+])(CCC)CCC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C10H23P.F6P/c1-4-7-10(11,8-5-2)9-6-3;1-7(2,3,4,5)6/h4-9,11H2,1-3H3;/q;-1/p+1
InChIKeyYLAMOAMDAIMHAG-UHFFFAOYSA-O
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.24
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethylnonadecan-2-ylazanium hexafluorophosphate
CID 140547733
trihydroxy(4-trihydroxysilylheptan-4-yl)silane
CID 139769925
azane;1,1,1-trifluorobutane;hydrochloride
CID 135354916
hexadecane;hydron;manganese;hexafluorophosphate;dihydrochloride
CID 174488039
1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane
CID 19105659
4-ethyl-4-fluoroheptane;propane
CID 171657626
bis(2,2-dimethylpentane);methane
CID 159859974
heptane-4,4-dithiol
CID 154237484
CID 157271110
CID 157271110
ethane;2,3,3-trifluoro-2-methylhexane
CID 178006471
butan-1-amine;hydron;hexafluorophosphate
CID 174702640
2,2-difluoropentylsilane
CID 173372570

Frequently Asked Questions

What is the IUPAC name of 4-propylheptan-4-ylphosphanium hexafluorophosphate?
The IUPAC name of 4-propylheptan-4-ylphosphanium hexafluorophosphate (CID 142699161) is 4-propylheptan-4-ylphosphanium hexafluorophosphate.
What is the SMILES notation for 4-propylheptan-4-ylphosphanium hexafluorophosphate?
The canonical SMILES for 4-propylheptan-4-ylphosphanium hexafluorophosphate is CCCC([PH3+])(CCC)CCC.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 4-propylheptan-4-ylphosphanium hexafluorophosphate?
The InChIKey is YLAMOAMDAIMHAG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H23P.F6P/c1-4-7-10(11,8-5-2)9-6-3;1-7(2,3,4,5)6/h4-9,11H2,1-3H3;/q;-1/p+1.
What are the key properties of 4-propylheptan-4-ylphosphanium hexafluorophosphate?
4-propylheptan-4-ylphosphanium hexafluorophosphate has a molecular weight of 320.24 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylheptan-4-ylphosphanium hexafluorophosphate is sourced from PubChem (CID 142699161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).