1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene

C10H9Cl2F3O2 — CID 154320529

IUPAC1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(OCCOCCl)ccc1Cl
InChIInChI=1S/C10H9Cl2F3O2/c11-6-16-3-4-17-7-1-2-9(12)8(5-7)10(13,14)15/h1-2,5H,3-4,6H2
InChIKeyGXWCJGNTMQNSGA-UHFFFAOYSA-N
MW289.08 g/mol
LogP3.95
Rot. Bonds5

About 1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene

1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene (PubChem CID 154320529) has the molecular formula C10H9Cl2F3O2 and a molecular weight of 289.08 g/mol. Its IUPAC name is 1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene
PubChem CID154320529
Molecular FormulaC10H9Cl2F3O2
Molecular Weight289.08 g/mol
Exact Mass287.99
IUPAC Name1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(OCCOCCl)ccc1Cl
InChIInChI=1S/C10H9Cl2F3O2/c11-6-16-3-4-17-7-1-2-9(12)8(5-7)10(13,14)15/h1-2,5H,3-4,6H2
InChIKeyGXWCJGNTMQNSGA-UHFFFAOYSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene (CID 154320529) is 1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene is FC(F)(F)c1cc(OCCOCCl)ccc1Cl.
What is the InChIKey of 1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene?
The InChIKey is GXWCJGNTMQNSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F3O2/c11-6-16-3-4-17-7-1-2-9(12)8(5-7)10(13,14)15/h1-2,5H,3-4,6H2.
What are the key properties of 1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene?
1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene has a molecular weight of 289.08 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 154320529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).