diphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene

C18H12F5O4P — CID 155318803

IUPACdiphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene
SMILESFc1cc(F)c(F)c(F)c1F.O=P(O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O4P.C6HF5/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;7-2-1-3(8)5(10)6(11)4(2)9/h1-10H,(H,13,14);1H
InChIKeyGGXOHZQJTGXRSX-UHFFFAOYSA-N
MW418.25 g/mol
LogP5.63
Rot. Bonds4

About diphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene

diphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene (PubChem CID 155318803) has the molecular formula C18H12F5O4P and a molecular weight of 418.25 g/mol. Its IUPAC name is diphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene.

Molecular Properties

Compound Namediphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene
PubChem CID155318803
Molecular FormulaC18H12F5O4P
Molecular Weight418.25 g/mol
Exact Mass418.04
IUPAC Namediphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene
SMILESFc1cc(F)c(F)c(F)c1F.O=P(O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O4P.C6HF5/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;7-2-1-3(8)5(10)6(11)4(2)9/h1-10H,(H,13,14);1H
InChIKeyGGXOHZQJTGXRSX-UHFFFAOYSA-N
XLogP5.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.25
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
chloroform;diphenyl hydrogen phosphate
CID 174899919
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
hydroxy phenyl hydrogen phosphate
CID 19103302
diphenyl hydrogen phosphate;N-phenylaniline
CID 172852100
diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine
CID 67592807
phenoxy phenyl hydrogen phosphate
CID 172853202
methane;phenyl phosphono hydrogen phosphate
CID 88820079
dimethyl hydrogen phosphite;diphenyl hydrogen phosphate
CID 161171837
[4-[3-(4-fluorophenyl)propyl]phenyl] phenyl hydrogen phosphate
CID 21402062

Frequently Asked Questions

What is the IUPAC name of diphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene?
The IUPAC name of diphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene (CID 155318803) is diphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene.
What is the SMILES notation for diphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene?
The canonical SMILES for diphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene is Fc1cc(F)c(F)c(F)c1F.O=P(O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene?
The InChIKey is GGXOHZQJTGXRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O4P.C6HF5/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;7-2-1-3(8)5(10)6(11)4(2)9/h1-10H,(H,13,14);1H.
What are the key properties of diphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene?
diphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene has a molecular weight of 418.25 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl hydrogen phosphate;1,2,3,4,5-pentafluorobenzene is sourced from PubChem (CID 155318803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).