1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene

C12H10F2NO3P — CID 5304101

IUPAC1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene
SMILESNP(=O)(Oc1ccc(F)cc1)Oc1ccc(F)cc1
InChIInChI=1S/C12H10F2NO3P/c13-9-1-5-11(6-2-9)17-19(15,16)18-12-7-3-10(14)4-8-12/h1-8H,(H2,15,16)
InChIKeyNEUFFKLNNAFDHN-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.49
Rot. Bonds4

About 1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene

1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene (PubChem CID 5304101) has the molecular formula C12H10F2NO3P and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene.

Molecular Properties

Compound Name1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene
PubChem CID5304101
Molecular FormulaC12H10F2NO3P
Molecular Weight285.19 g/mol
Exact Mass285.04
IUPAC Name1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene
SMILESNP(=O)(Oc1ccc(F)cc1)Oc1ccc(F)cc1
InChIInChI=1S/C12H10F2NO3P/c13-9-1-5-11(6-2-9)17-19(15,16)18-12-7-3-10(14)4-8-12/h1-8H,(H2,15,16)
InChIKeyNEUFFKLNNAFDHN-UHFFFAOYSA-N
XLogP3.49
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-diphenylphosphoryloxy-4-fluorobenzene
CID 23234465
(4-fluorophenyl) methyl hydrogen phosphate
CID 57282245
1-fluoro-4-[(4-fluorophenoxy)-(2,2,2-trifluoroethyl)phosphoryl]oxybenzene
CID 87155191
bis(4-fluorophenoxy)-imino-methyl-λ5-phosphane
CID 101464521
1-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene
CID 126689211
4-(4-fluorophenoxy)benzamide
CID 22142233
2-[bis(4-fluorophenoxy)phosphorylmethylamino]acetonitrile
CID 54198264
1-[amino(phenoxy)phosphoryl]oxy-4-hexoxybenzene
CID 67856737
[4-[3-(4-fluorophenyl)propyl]phenyl] phenyl hydrogen phosphate
CID 21402062
[chloro-(4-fluorophenoxy)phosphoryl] (2S)-2-(methoxyamino)propanoate
CID 20598686
dilithium;(4-fluorophenoxy)-dioxidoborane
CID 158204186
(4-fluorophenyl) hypobromite
CID 19745276

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene?
The IUPAC name of 1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene (CID 5304101) is 1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene.
What is the SMILES notation for 1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene?
The canonical SMILES for 1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene is NP(=O)(Oc1ccc(F)cc1)Oc1ccc(F)cc1.
What is the InChIKey of 1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene?
The InChIKey is NEUFFKLNNAFDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2NO3P/c13-9-1-5-11(6-2-9)17-19(15,16)18-12-7-3-10(14)4-8-12/h1-8H,(H2,15,16).
What are the key properties of 1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene?
1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene has a molecular weight of 285.19 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene is sourced from PubChem (CID 5304101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).