1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene

C14H11F3O — CID 69482191

IUPAC1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
SMILESCc1cccc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C14H11F3O/c1-10-5-4-6-11(9-10)12-7-2-3-8-13(12)18-14(15,16)17/h2-9H,1H3
InChIKeyQFKHFRSVQKRYEU-UHFFFAOYSA-N
MW252.24 g/mol
LogP4.56
Rot. Bonds2

About 1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene

1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene (PubChem CID 69482191) has the molecular formula C14H11F3O and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
PubChem CID69482191
Molecular FormulaC14H11F3O
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Name1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
SMILESCc1cccc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C14H11F3O/c1-10-5-4-6-11(9-10)12-7-2-3-8-13(12)18-14(15,16)17/h2-9H,1H3
InChIKeyQFKHFRSVQKRYEU-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene (CID 69482191) is 1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene is Cc1cccc(-c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene?
The InChIKey is QFKHFRSVQKRYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O/c1-10-5-4-6-11(9-10)12-7-2-3-8-13(12)18-14(15,16)17/h2-9H,1H3.
What are the key properties of 1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene?
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene has a molecular weight of 252.24 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 69482191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).