bis(2,6-ditert-butylphenyl) fluoro phosphite

C28H42FO3P — CID 67572261

IUPACbis(2,6-ditert-butylphenyl) fluoro phosphite
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1OP(OF)Oc1c(C(C)(C)C)cccc1C(C)(C)C
InChIInChI=1S/C28H42FO3P/c1-25(2,3)19-15-13-16-20(26(4,5)6)23(19)30-33(32-29)31-24-21(27(7,8)9)17-14-18-22(24)28(10,11)12/h13-18H,1-12H3
InChIKeyQXLAVTWJWUZRFL-UHFFFAOYSA-N
MW476.61 g/mol
LogP9.46
Rot. Bonds5

About bis(2,6-ditert-butylphenyl) fluoro phosphite

bis(2,6-ditert-butylphenyl) fluoro phosphite (PubChem CID 67572261) has the molecular formula C28H42FO3P and a molecular weight of 476.61 g/mol. Its IUPAC name is bis(2,6-ditert-butylphenyl) fluoro phosphite.

Molecular Properties

Compound Namebis(2,6-ditert-butylphenyl) fluoro phosphite
PubChem CID67572261
Molecular FormulaC28H42FO3P
Molecular Weight476.61 g/mol
Exact Mass476.29
IUPAC Namebis(2,6-ditert-butylphenyl) fluoro phosphite
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1OP(OF)Oc1c(C(C)(C)C)cccc1C(C)(C)C
InChIInChI=1S/C28H42FO3P/c1-25(2,3)19-15-13-16-20(26(4,5)6)23(19)30-33(32-29)31-24-21(27(7,8)9)17-14-18-22(24)28(10,11)12/h13-18H,1-12H3
InChIKeyQXLAVTWJWUZRFL-UHFFFAOYSA-N
XLogP9.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.61
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-ditert-butylphenyl) diphenyl phosphite
CID 86014872
bis(2,6-ditert-butylphenyl) 2,2-dimethylpropyl phosphite
CID 91582940
chloro-(2,6-ditert-butylphenoxy)-phenylphosphane
CID 54014120
1-tert-butyl-5-fluoronaphthalene
CID 14176344
[2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane
CID 141242594
(2,6-ditert-butylphenyl) trifluoromethanesulfonate
CID 87391356
bis[2,6-bis(2-methylpentan-2-yl)phenoxy]-fluorophosphane
CID 54553105
cyclohexyl (2,6-ditert-butyl-4-ethoxyphenyl) fluoro phosphite
CID 67573110
1,3-ditert-butyl-2,4-bis(2,6-ditert-butylphenoxy)-1,3,2,4-diazadiboretidine
CID 102011545
1-tert-butyl-2-methoxy-3-propan-2-ylbenzene
CID 58817173
CID 175472927
CID 175472927
1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738

Frequently Asked Questions

What is the IUPAC name of bis(2,6-ditert-butylphenyl) fluoro phosphite?
The IUPAC name of bis(2,6-ditert-butylphenyl) fluoro phosphite (CID 67572261) is bis(2,6-ditert-butylphenyl) fluoro phosphite.
What is the SMILES notation for bis(2,6-ditert-butylphenyl) fluoro phosphite?
The canonical SMILES for bis(2,6-ditert-butylphenyl) fluoro phosphite is CC(C)(C)c1cccc(C(C)(C)C)c1OP(OF)Oc1c(C(C)(C)C)cccc1C(C)(C)C.
What is the InChIKey of bis(2,6-ditert-butylphenyl) fluoro phosphite?
The InChIKey is QXLAVTWJWUZRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42FO3P/c1-25(2,3)19-15-13-16-20(26(4,5)6)23(19)30-33(32-29)31-24-21(27(7,8)9)17-14-18-22(24)28(10,11)12/h13-18H,1-12H3.
What are the key properties of bis(2,6-ditert-butylphenyl) fluoro phosphite?
bis(2,6-ditert-butylphenyl) fluoro phosphite has a molecular weight of 476.61 g/mol, XLogP of 9.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-ditert-butylphenyl) fluoro phosphite is sourced from PubChem (CID 67572261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).