1,2-dimethoxy-3-methyl-5-(trifluoromethoxy)benzene

C10H11F3O3 — CID 160514664

IUPAC1,2-dimethoxy-3-methyl-5-(trifluoromethoxy)benzene
SMILESCOc1cc(OC(F)(F)F)cc(C)c1OC
InChIInChI=1S/C10H11F3O3/c1-6-4-7(16-10(11,12)13)5-8(14-2)9(6)15-3/h4-5H,1-3H3
InChIKeyQTMLNCXYJABSCN-UHFFFAOYSA-N
MW236.19 g/mol
LogP2.91
Rot. Bonds3

About 1,2-dimethoxy-3-methyl-5-(trifluoromethoxy)benzene

1,2-dimethoxy-3-methyl-5-(trifluoromethoxy)benzene (PubChem CID 160514664) has the molecular formula C10H11F3O3 and a molecular weight of 236.19 g/mol. Its IUPAC name is 1,2-dimethoxy-3-methyl-5-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,2-dimethoxy-3-methyl-5-(trifluoromethoxy)benzene
PubChem CID160514664
Molecular FormulaC10H11F3O3
Molecular Weight236.19 g/mol
Exact Mass236.07
IUPAC Name1,2-dimethoxy-3-methyl-5-(trifluoromethoxy)benzene
SMILESCOc1cc(OC(F)(F)F)cc(C)c1OC
InChIInChI=1S/C10H11F3O3/c1-6-4-7(16-10(11,12)13)5-8(14-2)9(6)15-3/h4-5H,1-3H3
InChIKeyQTMLNCXYJABSCN-UHFFFAOYSA-N
XLogP2.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-methyl-5-(trifluoromethoxy)benzene?
The IUPAC name of 1,2-dimethoxy-3-methyl-5-(trifluoromethoxy)benzene (CID 160514664) is 1,2-dimethoxy-3-methyl-5-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,2-dimethoxy-3-methyl-5-(trifluoromethoxy)benzene?
The canonical SMILES for 1,2-dimethoxy-3-methyl-5-(trifluoromethoxy)benzene is COc1cc(OC(F)(F)F)cc(C)c1OC.
What is the InChIKey of 1,2-dimethoxy-3-methyl-5-(trifluoromethoxy)benzene?
The InChIKey is QTMLNCXYJABSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O3/c1-6-4-7(16-10(11,12)13)5-8(14-2)9(6)15-3/h4-5H,1-3H3.
What are the key properties of 1,2-dimethoxy-3-methyl-5-(trifluoromethoxy)benzene?
1,2-dimethoxy-3-methyl-5-(trifluoromethoxy)benzene has a molecular weight of 236.19 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-methyl-5-(trifluoromethoxy)benzene is sourced from PubChem (CID 160514664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).