1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene

C9H8ClF3O2 — CID 166609590

IUPAC1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccccc1COCCl
InChIInChI=1S/C9H8ClF3O2/c10-6-14-5-7-3-1-2-4-8(7)15-9(11,12)13/h1-4H,5-6H2
InChIKeyCGQGOFFKIUVXIK-UHFFFAOYSA-N
MW240.61 g/mol
LogP3.30
Rot. Bonds4

About 1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene

1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene (PubChem CID 166609590) has the molecular formula C9H8ClF3O2 and a molecular weight of 240.61 g/mol. Its IUPAC name is 1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene
PubChem CID166609590
Molecular FormulaC9H8ClF3O2
Molecular Weight240.61 g/mol
Exact Mass240.02
IUPAC Name1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccccc1COCCl
InChIInChI=1S/C9H8ClF3O2/c10-6-14-5-7-3-1-2-4-8(7)15-9(11,12)13/h1-4H,5-6H2
InChIKeyCGQGOFFKIUVXIK-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroethyl)-2-(trifluoromethoxy)benzene
CID 53433961
CID 142546618
CID 142546618
methanidyl-[[2-(trifluoromethoxy)phenyl]methyl]azanium
CID 20723500
dichloro-[[2-(trifluoromethoxy)phenyl]methyl]silane
CID 149252031
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
1-(3-chloro-2-methylpropyl)-2-(trifluoromethoxy)benzene
CID 64664413
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene
CID 141398456
1-(chloromethyl)-2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118850748
1-[2-(chloromethyl)-6-(trifluoromethoxy)phenyl]propan-2-one
CID 166640657

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene (CID 166609590) is 1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene is FC(F)(F)Oc1ccccc1COCCl.
What is the InChIKey of 1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene?
The InChIKey is CGQGOFFKIUVXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O2/c10-6-14-5-7-3-1-2-4-8(7)15-9(11,12)13/h1-4H,5-6H2.
What are the key properties of 1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene?
1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene has a molecular weight of 240.61 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 166609590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).