1,2,3-trifluoro-4-[(4-methoxyphenyl)methoxy]benzene

C14H11F3O2 — CID 156808701

IUPAC1,2,3-trifluoro-4-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C14H11F3O2/c1-18-10-4-2-9(3-5-10)8-19-12-7-6-11(15)13(16)14(12)17/h2-7H,8H2,1H3
InChIKeyOUMIJVSXUWJOFJ-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.69
Rot. Bonds4

About 1,2,3-trifluoro-4-[(4-methoxyphenyl)methoxy]benzene

1,2,3-trifluoro-4-[(4-methoxyphenyl)methoxy]benzene (PubChem CID 156808701) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1,2,3-trifluoro-4-[(4-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name1,2,3-trifluoro-4-[(4-methoxyphenyl)methoxy]benzene
PubChem CID156808701
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name1,2,3-trifluoro-4-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C14H11F3O2/c1-18-10-4-2-9(3-5-10)8-19-12-7-6-11(15)13(16)14(12)17/h2-7H,8H2,1H3
InChIKeyOUMIJVSXUWJOFJ-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-4-[(4-methoxyphenyl)methoxy]benzene?
The IUPAC name of 1,2,3-trifluoro-4-[(4-methoxyphenyl)methoxy]benzene (CID 156808701) is 1,2,3-trifluoro-4-[(4-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 1,2,3-trifluoro-4-[(4-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 1,2,3-trifluoro-4-[(4-methoxyphenyl)methoxy]benzene is COc1ccc(COc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 1,2,3-trifluoro-4-[(4-methoxyphenyl)methoxy]benzene?
The InChIKey is OUMIJVSXUWJOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c1-18-10-4-2-9(3-5-10)8-19-12-7-6-11(15)13(16)14(12)17/h2-7H,8H2,1H3.
What are the key properties of 1,2,3-trifluoro-4-[(4-methoxyphenyl)methoxy]benzene?
1,2,3-trifluoro-4-[(4-methoxyphenyl)methoxy]benzene has a molecular weight of 268.23 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-4-[(4-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 156808701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).