[3-fluoro-4,5-bis(phosphanyl)phenyl] (3-fluoro-4-methyl-5-phosphanylphenyl) phenyl phosphate

C19H18F2O4P4 — CID 138739372

IUPAC[3-fluoro-4,5-bis(phosphanyl)phenyl] (3-fluoro-4-methyl-5-phosphanylphenyl) phenyl phosphate
SMILESCc1c(F)cc(OP(=O)(Oc2ccccc2)Oc2cc(F)c(P)c(P)c2)cc1P
InChIInChI=1S/C19H18F2O4P4/c1-11-15(20)7-13(9-17(11)26)24-29(22,23-12-5-3-2-4-6-12)25-14-8-16(21)19(28)18(27)10-14/h2-10H,26-28H2,1H3
InChIKeyMVPIJBJURBEZFO-UHFFFAOYSA-N
MW472.24 g/mol
LogP4.42
Rot. Bonds6

About [3-fluoro-4,5-bis(phosphanyl)phenyl] (3-fluoro-4-methyl-5-phosphanylphenyl) phenyl phosphate

[3-fluoro-4,5-bis(phosphanyl)phenyl] (3-fluoro-4-methyl-5-phosphanylphenyl) phenyl phosphate (PubChem CID 138739372) has the molecular formula C19H18F2O4P4 and a molecular weight of 472.24 g/mol. Its IUPAC name is [3-fluoro-4,5-bis(phosphanyl)phenyl] (3-fluoro-4-methyl-5-phosphanylphenyl) phenyl phosphate.

Molecular Properties

Compound Name[3-fluoro-4,5-bis(phosphanyl)phenyl] (3-fluoro-4-methyl-5-phosphanylphenyl) phenyl phosphate
PubChem CID138739372
Molecular FormulaC19H18F2O4P4
Molecular Weight472.24 g/mol
Exact Mass472.01
IUPAC Name[3-fluoro-4,5-bis(phosphanyl)phenyl] (3-fluoro-4-methyl-5-phosphanylphenyl) phenyl phosphate
SMILESCc1c(F)cc(OP(=O)(Oc2ccccc2)Oc2cc(F)c(P)c(P)c2)cc1P
InChIInChI=1S/C19H18F2O4P4/c1-11-15(20)7-13(9-17(11)26)24-29(22,23-12-5-3-2-4-6-12)25-14-8-16(21)19(28)18(27)10-14/h2-10H,26-28H2,1H3
InChIKeyMVPIJBJURBEZFO-UHFFFAOYSA-N
XLogP4.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.24
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(3,4-difluorophenyl) phenyl phosphate
CID 138736917
(3,4-difluorophenyl) diphenyl phosphate
CID 138736983
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
2-methylpropane;triphenyl phosphate
CID 91193965
(3-fluorophenyl) diphenyl phosphate
CID 154131589
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
bis(2-methylphenyl) phenyl phosphate
CID 14618640
tris(4-phenoxyphenyl) phosphate
CID 70576220
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214
[methyl(diphenoxy)-λ5-phosphanylidene]azanide;yttrium
CID 58152781
diphenyl (3,4,5-triphenyl-2-phosphanylphenyl) phosphate
CID 141462788

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4,5-bis(phosphanyl)phenyl] (3-fluoro-4-methyl-5-phosphanylphenyl) phenyl phosphate?
The IUPAC name of [3-fluoro-4,5-bis(phosphanyl)phenyl] (3-fluoro-4-methyl-5-phosphanylphenyl) phenyl phosphate (CID 138739372) is [3-fluoro-4,5-bis(phosphanyl)phenyl] (3-fluoro-4-methyl-5-phosphanylphenyl) phenyl phosphate.
What is the SMILES notation for [3-fluoro-4,5-bis(phosphanyl)phenyl] (3-fluoro-4-methyl-5-phosphanylphenyl) phenyl phosphate?
The canonical SMILES for [3-fluoro-4,5-bis(phosphanyl)phenyl] (3-fluoro-4-methyl-5-phosphanylphenyl) phenyl phosphate is Cc1c(F)cc(OP(=O)(Oc2ccccc2)Oc2cc(F)c(P)c(P)c2)cc1P.
What is the InChIKey of [3-fluoro-4,5-bis(phosphanyl)phenyl] (3-fluoro-4-methyl-5-phosphanylphenyl) phenyl phosphate?
The InChIKey is MVPIJBJURBEZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2O4P4/c1-11-15(20)7-13(9-17(11)26)24-29(22,23-12-5-3-2-4-6-12)25-14-8-16(21)19(28)18(27)10-14/h2-10H,26-28H2,1H3.
What are the key properties of [3-fluoro-4,5-bis(phosphanyl)phenyl] (3-fluoro-4-methyl-5-phosphanylphenyl) phenyl phosphate?
[3-fluoro-4,5-bis(phosphanyl)phenyl] (3-fluoro-4-methyl-5-phosphanylphenyl) phenyl phosphate has a molecular weight of 472.24 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4,5-bis(phosphanyl)phenyl] (3-fluoro-4-methyl-5-phosphanylphenyl) phenyl phosphate is sourced from PubChem (CID 138739372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).