1-(methoxymethoxy)-2-(trifluoromethyl)benzene

C9H9F3O2 — CID 10943639

IUPAC1-(methoxymethoxy)-2-(trifluoromethyl)benzene
SMILESCOCOc1ccccc1C(F)(F)F
InChIInChI=1S/C9H9F3O2/c1-13-6-14-8-5-3-2-4-7(8)9(10,11)12/h2-5H,6H2,1H3
InChIKeyKDGCARXCCUSENF-UHFFFAOYSA-N
MW206.16 g/mol
LogP2.69
Rot. Bonds3

About 1-(methoxymethoxy)-2-(trifluoromethyl)benzene

1-(methoxymethoxy)-2-(trifluoromethyl)benzene (PubChem CID 10943639) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is 1-(methoxymethoxy)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(methoxymethoxy)-2-(trifluoromethyl)benzene
PubChem CID10943639
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name1-(methoxymethoxy)-2-(trifluoromethyl)benzene
SMILESCOCOc1ccccc1C(F)(F)F
InChIInChI=1S/C9H9F3O2/c1-13-6-14-8-5-3-2-4-7(8)9(10,11)12/h2-5H,6H2,1H3
InChIKeyKDGCARXCCUSENF-UHFFFAOYSA-N
XLogP2.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(methoxymethoxy)-2-(trifluoromethyl)benzene (CID 10943639) is 1-(methoxymethoxy)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(methoxymethoxy)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(methoxymethoxy)-2-(trifluoromethyl)benzene is COCOc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(methoxymethoxy)-2-(trifluoromethyl)benzene?
The InChIKey is KDGCARXCCUSENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c1-13-6-14-8-5-3-2-4-7(8)9(10,11)12/h2-5H,6H2,1H3.
What are the key properties of 1-(methoxymethoxy)-2-(trifluoromethyl)benzene?
1-(methoxymethoxy)-2-(trifluoromethyl)benzene has a molecular weight of 206.16 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 10943639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).