1-diphenylphosphoryloxy-4-fluorobenzene

C18H14FO2P — CID 23234465

IUPAC1-diphenylphosphoryloxy-4-fluorobenzene
SMILESO=P(Oc1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14FO2P/c19-15-11-13-16(14-12-15)21-22(20,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H
InChIKeyQSROKLAAJQVMQY-UHFFFAOYSA-N
MW312.28 g/mol
LogP4.13
Rot. Bonds4

About 1-diphenylphosphoryloxy-4-fluorobenzene

1-diphenylphosphoryloxy-4-fluorobenzene (PubChem CID 23234465) has the molecular formula C18H14FO2P and a molecular weight of 312.28 g/mol. Its IUPAC name is 1-diphenylphosphoryloxy-4-fluorobenzene.

Molecular Properties

Compound Name1-diphenylphosphoryloxy-4-fluorobenzene
PubChem CID23234465
Molecular FormulaC18H14FO2P
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Name1-diphenylphosphoryloxy-4-fluorobenzene
SMILESO=P(Oc1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14FO2P/c19-15-11-13-16(14-12-15)21-22(20,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H
InChIKeyQSROKLAAJQVMQY-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 54.13
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

1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene
CID 5304101
2-bromo-N-(4-diphenylphosphoryloxyphenyl)acetamide
CID 156661876
1-[(1S)-1-diphenylphosphoryloxy-2,2,2-trifluoroethyl]-4-fluorobenzene
CID 2054839
1-methyl-2-[phenoxy(phenyl)phosphoryl]benzene
CID 628026
1,8-bis(diphenylphosphoryloxy)naphthalene
CID 631205
1-(1-diphenylphosphoryloxy-2-iodoethyl)-4-fluorobenzene
CID 175003644
[4-[3-(4-fluorophenyl)propyl]phenyl] phenyl hydrogen phosphate
CID 21402062
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
N-diphenylphosphoryl-4-fluoroaniline
CID 23234466
sodium [4-[3-(4-fluorophenyl)propyl]phenyl] phenyl phosphate
CID 23696505
4-diphenylphosphoryloxy-6-fluoro-3-phenylnaphthalen-1-ol
CID 175169509
1-diphenylphosphoryloxy-2-propan-2-ylbenzene
CID 118862439

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryloxy-4-fluorobenzene?
The IUPAC name of 1-diphenylphosphoryloxy-4-fluorobenzene (CID 23234465) is 1-diphenylphosphoryloxy-4-fluorobenzene.
What is the SMILES notation for 1-diphenylphosphoryloxy-4-fluorobenzene?
The canonical SMILES for 1-diphenylphosphoryloxy-4-fluorobenzene is O=P(Oc1ccc(F)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphoryloxy-4-fluorobenzene?
The InChIKey is QSROKLAAJQVMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FO2P/c19-15-11-13-16(14-12-15)21-22(20,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H.
What are the key properties of 1-diphenylphosphoryloxy-4-fluorobenzene?
1-diphenylphosphoryloxy-4-fluorobenzene has a molecular weight of 312.28 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryloxy-4-fluorobenzene is sourced from PubChem (CID 23234465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).