1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene

C14H9Cl2F3O — CID 28946947

IUPAC1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene
SMILESFC(F)(F)c1ccccc1Oc1cccc(Cl)c1CCl
InChIInChI=1S/C14H9Cl2F3O/c15-8-9-11(16)5-3-7-12(9)20-13-6-2-1-4-10(13)14(17,18)19/h1-7H,8H2
InChIKeyUQINTKAZSUIEQM-UHFFFAOYSA-N
MW321.13 g/mol
LogP5.89
Rot. Bonds3

About 1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene

1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene (PubChem CID 28946947) has the molecular formula C14H9Cl2F3O and a molecular weight of 321.13 g/mol. Its IUPAC name is 1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene.

Molecular Properties

Compound Name1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene
PubChem CID28946947
Molecular FormulaC14H9Cl2F3O
Molecular Weight321.13 g/mol
Exact Mass320.00
IUPAC Name1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene
SMILESFC(F)(F)c1ccccc1Oc1cccc(Cl)c1CCl
InChIInChI=1S/C14H9Cl2F3O/c15-8-9-11(16)5-3-7-12(9)20-13-6-2-1-4-10(13)14(17,18)19/h1-7H,8H2
InChIKeyUQINTKAZSUIEQM-UHFFFAOYSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.13
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene
CID 28947164
1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene
CID 63567494
1-chloro-2-(chloromethyl)-3-(2-methylsulfanylphenoxy)benzene
CID 63648869
4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene
CID 63567308
1-tert-butyl-2-[3-chloro-2-(chloromethyl)phenoxy]-4-methylbenzene
CID 63565889
1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene
CID 28946983
1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene
CID 154508539
1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene
CID 64853464
2-chloro-6-[2-(trifluoromethyl)phenoxy]pyridine
CID 63588771
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-(trifluoromethyl)benzene
CID 6921
1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene
CID 28947175

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene?
The IUPAC name of 1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene (CID 28946947) is 1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene.
What is the SMILES notation for 1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene?
The canonical SMILES for 1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene is FC(F)(F)c1ccccc1Oc1cccc(Cl)c1CCl.
What is the InChIKey of 1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene?
The InChIKey is UQINTKAZSUIEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3O/c15-8-9-11(16)5-3-7-12(9)20-13-6-2-1-4-10(13)14(17,18)19/h1-7H,8H2.
What are the key properties of 1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene?
1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene has a molecular weight of 321.13 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene is sourced from PubChem (CID 28946947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).