1-methoxy-3-(trifluoromethoxy)benzene

C8H7F3O2 — CID 2777188

IUPAC1-methoxy-3-(trifluoromethoxy)benzene
SMILESCOc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C8H7F3O2/c1-12-6-3-2-4-7(5-6)13-8(9,10)11/h2-5H,1H3
InChIKeyOKSRAPDSZKICKZ-UHFFFAOYSA-N
MW192.14 g/mol
LogP2.59
Rot. Bonds2

About 1-methoxy-3-(trifluoromethoxy)benzene

1-methoxy-3-(trifluoromethoxy)benzene (PubChem CID 2777188) has the molecular formula C8H7F3O2 and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-methoxy-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-methoxy-3-(trifluoromethoxy)benzene
PubChem CID2777188
Molecular FormulaC8H7F3O2
Molecular Weight192.14 g/mol
Exact Mass192.04
IUPAC Name1-methoxy-3-(trifluoromethoxy)benzene
SMILESCOc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C8H7F3O2/c1-12-6-3-2-4-7(5-6)13-8(9,10)11/h2-5H,1H3
InChIKeyOKSRAPDSZKICKZ-UHFFFAOYSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(trifluoromethoxy)benzene?
The IUPAC name of 1-methoxy-3-(trifluoromethoxy)benzene (CID 2777188) is 1-methoxy-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-methoxy-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1-methoxy-3-(trifluoromethoxy)benzene is COc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-methoxy-3-(trifluoromethoxy)benzene?
The InChIKey is OKSRAPDSZKICKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O2/c1-12-6-3-2-4-7(5-6)13-8(9,10)11/h2-5H,1H3.
What are the key properties of 1-methoxy-3-(trifluoromethoxy)benzene?
1-methoxy-3-(trifluoromethoxy)benzene has a molecular weight of 192.14 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 2777188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).