bis(2,4-ditert-butyl-6-methylphenoxy)-fluorophosphane

C30H46FO2P — CID 54348247

IUPACbis(2,4-ditert-butyl-6-methylphenoxy)-fluorophosphane
SMILESCc1cc(C(C)(C)C)cc(C(C)(C)C)c1OP(F)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C30H46FO2P/c1-19-15-21(27(3,4)5)17-23(29(9,10)11)25(19)32-34(31)33-26-20(2)16-22(28(6,7)8)18-24(26)30(12,13)14/h15-18H,1-14H3
InChIKeyUDVBYOKYLORRTB-UHFFFAOYSA-N
MW488.67 g/mol
LogP10.15
Rot. Bonds4

About bis(2,4-ditert-butyl-6-methylphenoxy)-fluorophosphane

bis(2,4-ditert-butyl-6-methylphenoxy)-fluorophosphane (PubChem CID 54348247) has the molecular formula C30H46FO2P and a molecular weight of 488.67 g/mol. Its IUPAC name is bis(2,4-ditert-butyl-6-methylphenoxy)-fluorophosphane.

Molecular Properties

Compound Namebis(2,4-ditert-butyl-6-methylphenoxy)-fluorophosphane
PubChem CID54348247
Molecular FormulaC30H46FO2P
Molecular Weight488.67 g/mol
Exact Mass488.32
IUPAC Namebis(2,4-ditert-butyl-6-methylphenoxy)-fluorophosphane
SMILESCc1cc(C(C)(C)C)cc(C(C)(C)C)c1OP(F)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C30H46FO2P/c1-19-15-21(27(3,4)5)17-23(29(9,10)11)25(19)32-34(31)33-26-20(2)16-22(28(6,7)8)18-24(26)30(12,13)14/h15-18H,1-14H3
InChIKeyUDVBYOKYLORRTB-UHFFFAOYSA-N
XLogP10.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.67
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-bis(2-tert-butyl-4,6-dimethylphenoxy)phosphanylpiperazin-1-yl]-bis(2-tert-butyl-4,6-dimethylphenoxy)phosphane
CID 139652880
(2,4-ditert-butyl-6-propan-2-ylphenoxy)-fluoro-prop-1-en-2-yloxyphosphane
CID 166718025
tris(2,4-ditert-butyl-6-methylphenoxy)-ethylphosphanium
CID 161122899
(2,4,6-tritert-butylphenyl) nitrite
CID 14950011
[2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenoxy]-fluorophosphinous acid
CID 22998694
CID 15962849
CID 15962849
dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane
CID 101416642
dihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane
CID 162081075
bis(2,4-ditert-butyl-6-methylphenoxy)-ethyl-hydroxyphosphanium;bis(2,4-ditert-butyl-6-methylphenoxy)-hydroxy-methylphosphanium
CID 161131069
1,5-ditert-butyl-3-iodo-2-methoxybenzene
CID 13068630
(2,4,6-tritert-butylphenyl) methanesulfonate
CID 87391477
1,5-ditert-butyl-3-chloro-2-methoxybenzene
CID 154097245

Frequently Asked Questions

What is the IUPAC name of bis(2,4-ditert-butyl-6-methylphenoxy)-fluorophosphane?
The IUPAC name of bis(2,4-ditert-butyl-6-methylphenoxy)-fluorophosphane (CID 54348247) is bis(2,4-ditert-butyl-6-methylphenoxy)-fluorophosphane.
What is the SMILES notation for bis(2,4-ditert-butyl-6-methylphenoxy)-fluorophosphane?
The canonical SMILES for bis(2,4-ditert-butyl-6-methylphenoxy)-fluorophosphane is Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1OP(F)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of bis(2,4-ditert-butyl-6-methylphenoxy)-fluorophosphane?
The InChIKey is UDVBYOKYLORRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46FO2P/c1-19-15-21(27(3,4)5)17-23(29(9,10)11)25(19)32-34(31)33-26-20(2)16-22(28(6,7)8)18-24(26)30(12,13)14/h15-18H,1-14H3.
What are the key properties of bis(2,4-ditert-butyl-6-methylphenoxy)-fluorophosphane?
bis(2,4-ditert-butyl-6-methylphenoxy)-fluorophosphane has a molecular weight of 488.67 g/mol, XLogP of 10.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-ditert-butyl-6-methylphenoxy)-fluorophosphane is sourced from PubChem (CID 54348247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).