ditert-butyl(propyl)phosphane ditetrafluoroborate

C11H25B2F8P-2 — CID 175033358

IUPACditert-butyl(propyl)phosphane ditetrafluoroborate
SMILESCCCP(C(C)(C)C)C(C)(C)C.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C11H25P.2BF4/c1-8-9-12(10(2,3)4)11(5,6)7;2*2-1(3,4)5/h8-9H2,1-7H3;;/q;2*-1
InChIKeyMEJRCKHXBQMWHQ-UHFFFAOYSA-N
MW361.90 g/mol
LogP7.08
Rot. Bonds2

About ditert-butyl(propyl)phosphane ditetrafluoroborate

ditert-butyl(propyl)phosphane ditetrafluoroborate (PubChem CID 175033358) has the molecular formula C11H25B2F8P-2 and a molecular weight of 361.90 g/mol. Its IUPAC name is ditert-butyl(propyl)phosphane ditetrafluoroborate.

Molecular Properties

Compound Nameditert-butyl(propyl)phosphane ditetrafluoroborate
PubChem CID175033358
Molecular FormulaC11H25B2F8P-2
Molecular Weight361.90 g/mol
Exact Mass362.18
IUPAC Nameditert-butyl(propyl)phosphane ditetrafluoroborate
SMILESCCCP(C(C)(C)C)C(C)(C)C.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C11H25P.2BF4/c1-8-9-12(10(2,3)4)11(5,6)7;2*2-1(3,4)5/h8-9H2,1-7H3;;/q;2*-1
InChIKeyMEJRCKHXBQMWHQ-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.90
LogP ≤ 57.08
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

ditert-butyl(propyl)phosphane
CID 15264580
ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride
CID 173080651
tert-butyl(dipropyl)phosphane
CID 23413210
2-ditert-butylphosphanylethyl(trimethyl)azanium chloride
CID 11207890
2-dipropylphosphanylpropan-2-yl(dipropyl)phosphane
CID 140639806
1,1-bis(2-ditert-butylphosphanylethyl)hydrazine
CID 118651289
ditert-butyl-(14-ditert-butylphosphanyl-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluorotetradecyl)phosphane
CID 102074563
butyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane
CID 175949871
tetratert-butylazanium tetrafluoroborate
CID 14646938
ethyl(dimethyl)azanium tetrafluoroborate
CID 174821443
bis(2-dimethylphosphanylethyl(dimethyl)phosphane) ditetrafluoroborate
CID 173421683
bis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride
CID 146156617

Frequently Asked Questions

What is the IUPAC name of ditert-butyl(propyl)phosphane ditetrafluoroborate?
The IUPAC name of ditert-butyl(propyl)phosphane ditetrafluoroborate (CID 175033358) is ditert-butyl(propyl)phosphane ditetrafluoroborate.
What is the SMILES notation for ditert-butyl(propyl)phosphane ditetrafluoroborate?
The canonical SMILES for ditert-butyl(propyl)phosphane ditetrafluoroborate is CCCP(C(C)(C)C)C(C)(C)C.F[B-](F)(F)F.F[B-](F)(F)F.
What is the InChIKey of ditert-butyl(propyl)phosphane ditetrafluoroborate?
The InChIKey is MEJRCKHXBQMWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25P.2BF4/c1-8-9-12(10(2,3)4)11(5,6)7;2*2-1(3,4)5/h8-9H2,1-7H3;;/q;2*-1.
What are the key properties of ditert-butyl(propyl)phosphane ditetrafluoroborate?
ditert-butyl(propyl)phosphane ditetrafluoroborate has a molecular weight of 361.90 g/mol, XLogP of 7.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(propyl)phosphane ditetrafluoroborate is sourced from PubChem (CID 175033358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).