2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene

C10H9Cl2F3O2 — CID 106705244

IUPAC2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene
SMILESFC(F)(F)COCOc1ccc(CCl)cc1Cl
InChIInChI=1S/C10H9Cl2F3O2/c11-4-7-1-2-9(8(12)3-7)17-6-16-5-10(13,14)15/h1-3H,4-6H2
InChIKeyYIDNXWNELYMIMW-UHFFFAOYSA-N
MW289.08 g/mol
LogP3.99
Rot. Bonds5

About 2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene

2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene (PubChem CID 106705244) has the molecular formula C10H9Cl2F3O2 and a molecular weight of 289.08 g/mol. Its IUPAC name is 2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene.

Molecular Properties

Compound Name2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene
PubChem CID106705244
Molecular FormulaC10H9Cl2F3O2
Molecular Weight289.08 g/mol
Exact Mass287.99
IUPAC Name2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene
SMILESFC(F)(F)COCOc1ccc(CCl)cc1Cl
InChIInChI=1S/C10H9Cl2F3O2/c11-4-7-1-2-9(8(12)3-7)17-6-16-5-10(13,14)15/h1-3H,4-6H2
InChIKeyYIDNXWNELYMIMW-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-2-fluoro-1-(2,2,2-trifluoroethoxymethoxy)benzene
CID 107691406
2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 63536063
[4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 106705149
[3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol
CID 107690662
2-(bromomethyl)-4-chloro-1-(2,2,2-trifluoroethoxymethoxy)benzene
CID 106705221
2-[3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanamine
CID 107692532
2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63535207
2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 121390824
2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62697877
1-chloro-2-fluoro-4-(2,2,2-trifluoroethoxymethoxy)benzene
CID 106706442
2-chloro-4-(2,2,2-trifluoroethoxymethoxy)aniline
CID 106704391
1-(2-tert-butylsulfonylethoxy)-2-chloro-4-(chloromethyl)benzene
CID 106726569

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene?
The IUPAC name of 2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene (CID 106705244) is 2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene.
What is the SMILES notation for 2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene?
The canonical SMILES for 2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene is FC(F)(F)COCOc1ccc(CCl)cc1Cl.
What is the InChIKey of 2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene?
The InChIKey is YIDNXWNELYMIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F3O2/c11-4-7-1-2-9(8(12)3-7)17-6-16-5-10(13,14)15/h1-3H,4-6H2.
What are the key properties of 2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene?
2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene has a molecular weight of 289.08 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene is sourced from PubChem (CID 106705244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).