ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-5-fluorophenyl]methyl]phosphane

C24H43FP2 — CID 101197590

IUPACditert-butyl-[[3-(ditert-butylphosphanylmethyl)-5-fluorophenyl]methyl]phosphane
SMILESCC(C)(C)P(Cc1cc(F)cc(CP(C(C)(C)C)C(C)(C)C)c1)C(C)(C)C
InChIInChI=1S/C24H43FP2/c1-21(2,3)26(22(4,5)6)16-18-13-19(15-20(25)14-18)17-27(23(7,8)9)24(10,11)12/h13-15H,16-17H2,1-12H3
InChIKeyMFKVRZNOKXMGHG-UHFFFAOYSA-N
MW412.55 g/mol
LogP8.98
Rot. Bonds4

About ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-5-fluorophenyl]methyl]phosphane

ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-5-fluorophenyl]methyl]phosphane (PubChem CID 101197590) has the molecular formula C24H43FP2 and a molecular weight of 412.55 g/mol. Its IUPAC name is ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-5-fluorophenyl]methyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[[3-(ditert-butylphosphanylmethyl)-5-fluorophenyl]methyl]phosphane
PubChem CID101197590
Molecular FormulaC24H43FP2
Molecular Weight412.55 g/mol
Exact Mass412.28
IUPAC Nameditert-butyl-[[3-(ditert-butylphosphanylmethyl)-5-fluorophenyl]methyl]phosphane
SMILESCC(C)(C)P(Cc1cc(F)cc(CP(C(C)(C)C)C(C)(C)C)c1)C(C)(C)C
InChIInChI=1S/C24H43FP2/c1-21(2,3)26(22(4,5)6)16-18-13-19(15-20(25)14-18)17-27(23(7,8)9)24(10,11)12/h13-15H,16-17H2,1-12H3
InChIKeyMFKVRZNOKXMGHG-UHFFFAOYSA-N
XLogP8.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.55
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-5-fluorophenyl]methyl]phosphane?
The IUPAC name of ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-5-fluorophenyl]methyl]phosphane (CID 101197590) is ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-5-fluorophenyl]methyl]phosphane.
What is the SMILES notation for ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-5-fluorophenyl]methyl]phosphane?
The canonical SMILES for ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-5-fluorophenyl]methyl]phosphane is CC(C)(C)P(Cc1cc(F)cc(CP(C(C)(C)C)C(C)(C)C)c1)C(C)(C)C.
What is the InChIKey of ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-5-fluorophenyl]methyl]phosphane?
The InChIKey is MFKVRZNOKXMGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43FP2/c1-21(2,3)26(22(4,5)6)16-18-13-19(15-20(25)14-18)17-27(23(7,8)9)24(10,11)12/h13-15H,16-17H2,1-12H3.
What are the key properties of ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-5-fluorophenyl]methyl]phosphane?
ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-5-fluorophenyl]methyl]phosphane has a molecular weight of 412.55 g/mol, XLogP of 8.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-5-fluorophenyl]methyl]phosphane is sourced from PubChem (CID 101197590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).