[chloro(2,2,2-trichloroethoxy)phosphoryl]oxybenzene

C8H7Cl4O3P — CID 134897537

IUPAC[chloro(2,2,2-trichloroethoxy)phosphoryl]oxybenzene
SMILESO=P(Cl)(OCC(Cl)(Cl)Cl)Oc1ccccc1
InChIInChI=1S/C8H7Cl4O3P/c9-8(10,11)6-14-16(12,13)15-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyUJVKUIJDMOFJDJ-UHFFFAOYSA-N
MW323.93 g/mol
LogP4.80
Rot. Bonds4

About [chloro(2,2,2-trichloroethoxy)phosphoryl]oxybenzene

[chloro(2,2,2-trichloroethoxy)phosphoryl]oxybenzene (PubChem CID 134897537) has the molecular formula C8H7Cl4O3P and a molecular weight of 323.93 g/mol. Its IUPAC name is [chloro(2,2,2-trichloroethoxy)phosphoryl]oxybenzene.

Molecular Properties

Compound Name[chloro(2,2,2-trichloroethoxy)phosphoryl]oxybenzene
PubChem CID134897537
Molecular FormulaC8H7Cl4O3P
Molecular Weight323.93 g/mol
Exact Mass321.89
IUPAC Name[chloro(2,2,2-trichloroethoxy)phosphoryl]oxybenzene
SMILESO=P(Cl)(OCC(Cl)(Cl)Cl)Oc1ccccc1
InChIInChI=1S/C8H7Cl4O3P/c9-8(10,11)6-14-16(12,13)15-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyUJVKUIJDMOFJDJ-UHFFFAOYSA-N
XLogP4.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.93
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[chloro(2,2,2-trichloroethoxy)phosphoryl]oxymethylbenzene
CID 134897580
argon;[chloro(phenoxy)phosphoryl]oxybenzene
CID 159408422
chloro(phenoxy)phosphinate
CID 71354399
[chloro(phenoxy)phosphoryl]oxybenzene;oxolane
CID 159081019
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
1-phenylpropan-2-yl bis(2,2,2-trichloroethyl) phosphate
CID 101178571
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
triphenyl phosphate;hydrate
CID 66881958
4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol
CID 69095386
2,2-dimethylpropyl(phenoxy)phosphinic acid
CID 20835951
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
[chloromethyl(methyl)phosphoryl]oxybenzene
CID 71410923

Frequently Asked Questions

What is the IUPAC name of [chloro(2,2,2-trichloroethoxy)phosphoryl]oxybenzene?
The IUPAC name of [chloro(2,2,2-trichloroethoxy)phosphoryl]oxybenzene (CID 134897537) is [chloro(2,2,2-trichloroethoxy)phosphoryl]oxybenzene.
What is the SMILES notation for [chloro(2,2,2-trichloroethoxy)phosphoryl]oxybenzene?
The canonical SMILES for [chloro(2,2,2-trichloroethoxy)phosphoryl]oxybenzene is O=P(Cl)(OCC(Cl)(Cl)Cl)Oc1ccccc1.
What is the InChIKey of [chloro(2,2,2-trichloroethoxy)phosphoryl]oxybenzene?
The InChIKey is UJVKUIJDMOFJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl4O3P/c9-8(10,11)6-14-16(12,13)15-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of [chloro(2,2,2-trichloroethoxy)phosphoryl]oxybenzene?
[chloro(2,2,2-trichloroethoxy)phosphoryl]oxybenzene has a molecular weight of 323.93 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(2,2,2-trichloroethoxy)phosphoryl]oxybenzene is sourced from PubChem (CID 134897537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).