2-phenylimino-2-(trichloromethyl)-1,3,2lambda5-benzodioxaphosphole

C13H9Cl3NO2P — CID 12830035

IUPAC2-phenylimino-2-(trichloromethyl)-1,3,2lambda5-benzodioxaphosphole
SMILESClC(Cl)(Cl)P1(=Nc2ccccc2)Oc2ccccc2O1
InChIInChI=1S/C13H9Cl3NO2P/c14-13(15,16)20(17-10-6-2-1-3-7-10)18-11-8-4-5-9-12(11)19-20/h1-9H
InChIKeyXUZSYUWJEOZSOH-UHFFFAOYSA-N
MW348.55 g/mol
LogP6.15
Rot. Bonds1

About 2-phenylimino-2-(trichloromethyl)-1,3,2lambda5-benzodioxaphosphole

2-phenylimino-2-(trichloromethyl)-1,3,2lambda5-benzodioxaphosphole (PubChem CID 12830035) has the molecular formula C13H9Cl3NO2P and a molecular weight of 348.55 g/mol. Its IUPAC name is 2-phenylimino-2-(trichloromethyl)-1,3,2lambda5-benzodioxaphosphole.

Molecular Properties

Compound Name2-phenylimino-2-(trichloromethyl)-1,3,2lambda5-benzodioxaphosphole
PubChem CID12830035
Molecular FormulaC13H9Cl3NO2P
Molecular Weight348.55 g/mol
Exact Mass346.94
IUPAC Name2-phenylimino-2-(trichloromethyl)-1,3,2lambda5-benzodioxaphosphole
SMILESClC(Cl)(Cl)P1(=Nc2ccccc2)Oc2ccccc2O1
InChIInChI=1S/C13H9Cl3NO2P/c14-13(15,16)20(17-10-6-2-1-3-7-10)18-11-8-4-5-9-12(11)19-20/h1-9H
InChIKeyXUZSYUWJEOZSOH-UHFFFAOYSA-N
XLogP6.15
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.55
LogP ≤ 56.15
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

diphenyldiazene;hydrofluoride
CID 174857584
N,N,1,3-tetramethyl-2-phenylimino-1,3,2lambda5-diazaphospholidin-2-amine
CID 12890563
2,2-dichloro-N,N'-diphenylpropanediimidoyl dichloride
CID 3302476
bis(diphenyldiazene);uranium;vanadium
CID 158886927
chloromethane;N,N'-diphenylmethanediimine
CID 160533177
1,1-dichloro-1-phenyl-N,N-bis(trimethylsilyl)methanamine
CID 175408687
(3-tert-butylphenyl)-phenyldiazene
CID 141467290
2-methoxy-1,3-dimethyl-2-phenylimino-1,3,2lambda5-diazaphospholidine
CID 12930639
4'-phenyl-6'-(trichloromethyl)spiro[1,3,2λ5-benzodioxaphosphole-2,2'-1,3,5-triaza-2λ5-phosphacyclohexa-2,4,6-triene]
CID 5043530
3-phenyldiazenylbenzoic acid
CID 555783
diphenyldiazene;oxalonitrile
CID 174439181
trichloro(phenylimino)vanadium
CID 6395397

Frequently Asked Questions

What is the IUPAC name of 2-phenylimino-2-(trichloromethyl)-1,3,2lambda5-benzodioxaphosphole?
The IUPAC name of 2-phenylimino-2-(trichloromethyl)-1,3,2lambda5-benzodioxaphosphole (CID 12830035) is 2-phenylimino-2-(trichloromethyl)-1,3,2lambda5-benzodioxaphosphole.
What is the SMILES notation for 2-phenylimino-2-(trichloromethyl)-1,3,2lambda5-benzodioxaphosphole?
The canonical SMILES for 2-phenylimino-2-(trichloromethyl)-1,3,2lambda5-benzodioxaphosphole is ClC(Cl)(Cl)P1(=Nc2ccccc2)Oc2ccccc2O1.
What is the InChIKey of 2-phenylimino-2-(trichloromethyl)-1,3,2lambda5-benzodioxaphosphole?
The InChIKey is XUZSYUWJEOZSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3NO2P/c14-13(15,16)20(17-10-6-2-1-3-7-10)18-11-8-4-5-9-12(11)19-20/h1-9H.
What are the key properties of 2-phenylimino-2-(trichloromethyl)-1,3,2lambda5-benzodioxaphosphole?
2-phenylimino-2-(trichloromethyl)-1,3,2lambda5-benzodioxaphosphole has a molecular weight of 348.55 g/mol, XLogP of 6.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylimino-2-(trichloromethyl)-1,3,2lambda5-benzodioxaphosphole is sourced from PubChem (CID 12830035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).