1-methyl-2-(trifluoromethoxy)benzene

C16H14F6O2 — CID 159717363

IUPAC1-methyl-2-(trifluoromethoxy)benzene
SMILESCc1ccccc1OC(F)(F)F.Cc1ccccc1OC(F)(F)F
InChIInChI=1S/2C8H7F3O/c2*1-6-4-2-3-5-7(6)12-8(9,10)11/h2*2-5H,1H3
InChIKeyMZPHCGZPVKYXJT-UHFFFAOYSA-N
MW352.27 g/mol
LogP5.79
Rot. Bonds2

About 1-methyl-2-(trifluoromethoxy)benzene

1-methyl-2-(trifluoromethoxy)benzene (PubChem CID 159717363) has the molecular formula C16H14F6O2 and a molecular weight of 352.27 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethoxy)benzene
PubChem CID159717363
Molecular FormulaC16H14F6O2
Molecular Weight352.27 g/mol
Exact Mass352.09
IUPAC Name1-methyl-2-(trifluoromethoxy)benzene
SMILESCc1ccccc1OC(F)(F)F.Cc1ccccc1OC(F)(F)F
InChIInChI=1S/2C8H7F3O/c2*1-6-4-2-3-5-7(6)12-8(9,10)11/h2*2-5H,1H3
InChIKeyMZPHCGZPVKYXJT-UHFFFAOYSA-N
XLogP5.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.27
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 164960643
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-methyl-2-(trifluoromethoxy)benzene (CID 159717363) is 1-methyl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-methyl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-methyl-2-(trifluoromethoxy)benzene is Cc1ccccc1OC(F)(F)F.Cc1ccccc1OC(F)(F)F.
What is the InChIKey of 1-methyl-2-(trifluoromethoxy)benzene?
The InChIKey is MZPHCGZPVKYXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7F3O/c2*1-6-4-2-3-5-7(6)12-8(9,10)11/h2*2-5H,1H3.
What are the key properties of 1-methyl-2-(trifluoromethoxy)benzene?
1-methyl-2-(trifluoromethoxy)benzene has a molecular weight of 352.27 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 159717363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).