1-fluoro-4-[(4-fluorophenoxy)-(2,2,2-trifluoroethyl)phosphoryl]oxybenzene

C14H10F5O3P — CID 87155191

IUPAC1-fluoro-4-[(4-fluorophenoxy)-(2,2,2-trifluoroethyl)phosphoryl]oxybenzene
SMILESO=P(CC(F)(F)F)(Oc1ccc(F)cc1)Oc1ccc(F)cc1
InChIInChI=1S/C14H10F5O3P/c15-10-1-5-12(6-2-10)21-23(20,9-14(17,18)19)22-13-7-3-11(16)4-8-13/h1-8H,9H2
InChIKeyWEACTWBYPKVHTJ-UHFFFAOYSA-N
MW352.20 g/mol
LogP5.18
Rot. Bonds5

About 1-fluoro-4-[(4-fluorophenoxy)-(2,2,2-trifluoroethyl)phosphoryl]oxybenzene

1-fluoro-4-[(4-fluorophenoxy)-(2,2,2-trifluoroethyl)phosphoryl]oxybenzene (PubChem CID 87155191) has the molecular formula C14H10F5O3P and a molecular weight of 352.20 g/mol. Its IUPAC name is 1-fluoro-4-[(4-fluorophenoxy)-(2,2,2-trifluoroethyl)phosphoryl]oxybenzene.

Molecular Properties

Compound Name1-fluoro-4-[(4-fluorophenoxy)-(2,2,2-trifluoroethyl)phosphoryl]oxybenzene
PubChem CID87155191
Molecular FormulaC14H10F5O3P
Molecular Weight352.20 g/mol
Exact Mass352.03
IUPAC Name1-fluoro-4-[(4-fluorophenoxy)-(2,2,2-trifluoroethyl)phosphoryl]oxybenzene
SMILESO=P(CC(F)(F)F)(Oc1ccc(F)cc1)Oc1ccc(F)cc1
InChIInChI=1S/C14H10F5O3P/c15-10-1-5-12(6-2-10)21-23(20,9-14(17,18)19)22-13-7-3-11(16)4-8-13/h1-8H,9H2
InChIKeyWEACTWBYPKVHTJ-UHFFFAOYSA-N
XLogP5.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.20
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[bis(4-fluorophenoxy)phosphorylmethylamino]acetonitrile
CID 54198264
2-bis(4-methylphenoxy)phosphoryl-1-(4-fluorophenyl)ethanone
CID 175041045
(4-fluorophenyl) methyl hydrogen phosphate
CID 57282245
1-diphenylphosphoryloxy-4-fluorobenzene
CID 23234465
bis(4-fluorophenoxy)-imino-methyl-λ5-phosphane
CID 101464521
1-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene
CID 126689211
1-fluoro-4-[methyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphoryl]oxybenzene
CID 11864620
tris[4-(trifluoromethoxy)phenyl] phosphate
CID 169101115
[4-[3-(4-fluorophenyl)propyl]phenyl] phenyl hydrogen phosphate
CID 21402062
(4-fluorophenoxy)methyl dihydrogen phosphate
CID 144610852
[2,2,2-trifluoro-1-[2,2,2-trifluoroethyl-(2,2,2-trifluoro-1-phenylethoxy)phosphoryl]oxyethyl]benzene
CID 91500438

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(4-fluorophenoxy)-(2,2,2-trifluoroethyl)phosphoryl]oxybenzene?
The IUPAC name of 1-fluoro-4-[(4-fluorophenoxy)-(2,2,2-trifluoroethyl)phosphoryl]oxybenzene (CID 87155191) is 1-fluoro-4-[(4-fluorophenoxy)-(2,2,2-trifluoroethyl)phosphoryl]oxybenzene.
What is the SMILES notation for 1-fluoro-4-[(4-fluorophenoxy)-(2,2,2-trifluoroethyl)phosphoryl]oxybenzene?
The canonical SMILES for 1-fluoro-4-[(4-fluorophenoxy)-(2,2,2-trifluoroethyl)phosphoryl]oxybenzene is O=P(CC(F)(F)F)(Oc1ccc(F)cc1)Oc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(4-fluorophenoxy)-(2,2,2-trifluoroethyl)phosphoryl]oxybenzene?
The InChIKey is WEACTWBYPKVHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5O3P/c15-10-1-5-12(6-2-10)21-23(20,9-14(17,18)19)22-13-7-3-11(16)4-8-13/h1-8H,9H2.
What are the key properties of 1-fluoro-4-[(4-fluorophenoxy)-(2,2,2-trifluoroethyl)phosphoryl]oxybenzene?
1-fluoro-4-[(4-fluorophenoxy)-(2,2,2-trifluoroethyl)phosphoryl]oxybenzene has a molecular weight of 352.20 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(4-fluorophenoxy)-(2,2,2-trifluoroethyl)phosphoryl]oxybenzene is sourced from PubChem (CID 87155191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).