2-bis(2-fluoro-6-hydroxyphenyl)phosphoryl-3-fluorophenol

C18H12F3O4P — CID 134955492

IUPAC2-bis(2-fluoro-6-hydroxyphenyl)phosphoryl-3-fluorophenol
SMILESO=P(c1c(O)cccc1F)(c1c(O)cccc1F)c1c(O)cccc1F
InChIInChI=1S/C18H12F3O4P/c19-10-4-1-7-13(22)16(10)26(25,17-11(20)5-2-8-14(17)23)18-12(21)6-3-9-15(18)24/h1-9,22-24H
InChIKeyBMOCROJJIJVIPV-UHFFFAOYSA-N
MW380.26 g/mol
LogP2.86
Rot. Bonds3

About 2-bis(2-fluoro-6-hydroxyphenyl)phosphoryl-3-fluorophenol

2-bis(2-fluoro-6-hydroxyphenyl)phosphoryl-3-fluorophenol (PubChem CID 134955492) has the molecular formula C18H12F3O4P and a molecular weight of 380.26 g/mol. Its IUPAC name is 2-bis(2-fluoro-6-hydroxyphenyl)phosphoryl-3-fluorophenol.

Molecular Properties

Compound Name2-bis(2-fluoro-6-hydroxyphenyl)phosphoryl-3-fluorophenol
PubChem CID134955492
Molecular FormulaC18H12F3O4P
Molecular Weight380.26 g/mol
Exact Mass380.04
IUPAC Name2-bis(2-fluoro-6-hydroxyphenyl)phosphoryl-3-fluorophenol
SMILESO=P(c1c(O)cccc1F)(c1c(O)cccc1F)c1c(O)cccc1F
InChIInChI=1S/C18H12F3O4P/c19-10-4-1-7-13(22)16(10)26(25,17-11(20)5-2-8-14(17)23)18-12(21)6-3-9-15(18)24/h1-9,22-24H
InChIKeyBMOCROJJIJVIPV-UHFFFAOYSA-N
XLogP2.86
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bis(2-fluoro-6-hydroxyphenyl)phosphoryl-3-fluorophenol?
The IUPAC name of 2-bis(2-fluoro-6-hydroxyphenyl)phosphoryl-3-fluorophenol (CID 134955492) is 2-bis(2-fluoro-6-hydroxyphenyl)phosphoryl-3-fluorophenol.
What is the SMILES notation for 2-bis(2-fluoro-6-hydroxyphenyl)phosphoryl-3-fluorophenol?
The canonical SMILES for 2-bis(2-fluoro-6-hydroxyphenyl)phosphoryl-3-fluorophenol is O=P(c1c(O)cccc1F)(c1c(O)cccc1F)c1c(O)cccc1F.
What is the InChIKey of 2-bis(2-fluoro-6-hydroxyphenyl)phosphoryl-3-fluorophenol?
The InChIKey is BMOCROJJIJVIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3O4P/c19-10-4-1-7-13(22)16(10)26(25,17-11(20)5-2-8-14(17)23)18-12(21)6-3-9-15(18)24/h1-9,22-24H.
What are the key properties of 2-bis(2-fluoro-6-hydroxyphenyl)phosphoryl-3-fluorophenol?
2-bis(2-fluoro-6-hydroxyphenyl)phosphoryl-3-fluorophenol has a molecular weight of 380.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(2-fluoro-6-hydroxyphenyl)phosphoryl-3-fluorophenol is sourced from PubChem (CID 134955492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).