2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene

C14H10F4 — CID 123409269

IUPAC2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene
SMILESCc1ccc(-c2ccccc2C(F)(F)F)cc1F
InChIInChI=1S/C14H10F4/c1-9-6-7-10(8-13(9)15)11-4-2-3-5-12(11)14(16,17)18/h2-8H,1H3
InChIKeyAXQBMEULAUFOAM-UHFFFAOYSA-N
MW254.23 g/mol
LogP4.82
Rot. Bonds1

About 2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene

2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene (PubChem CID 123409269) has the molecular formula C14H10F4 and a molecular weight of 254.23 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene
PubChem CID123409269
Molecular FormulaC14H10F4
Molecular Weight254.23 g/mol
Exact Mass254.07
IUPAC Name2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene
SMILESCc1ccc(-c2ccccc2C(F)(F)F)cc1F
InChIInChI=1S/C14H10F4/c1-9-6-7-10(8-13(9)15)11-4-2-3-5-12(11)14(16,17)18/h2-8H,1H3
InChIKeyAXQBMEULAUFOAM-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene (CID 123409269) is 2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene is Cc1ccc(-c2ccccc2C(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is AXQBMEULAUFOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4/c1-9-6-7-10(8-13(9)15)11-4-2-3-5-12(11)14(16,17)18/h2-8H,1H3.
What are the key properties of 2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene?
2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene has a molecular weight of 254.23 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 123409269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).