trifluoromethylbenzene

C7H5F3 — CID 7368

IUPACtrifluoromethylbenzene
SMILESFC(F)(F)c1ccccc1
InChIInChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKeyGETTZEONDQJALK-UHFFFAOYSA-N
MW146.11 g/mol
LogP2.71
Rot. Bonds

About trifluoromethylbenzene

trifluoromethylbenzene (PubChem CID 7368) has the molecular formula C7H5F3 and a molecular weight of 146.11 g/mol. Its IUPAC name is trifluoromethylbenzene.

Molecular Properties

Compound Nametrifluoromethylbenzene
PubChem CID7368
Molecular FormulaC7H5F3
Molecular Weight146.11 g/mol
Exact Mass146.03
IUPAC Nametrifluoromethylbenzene
SMILESFC(F)(F)c1ccccc1
InChIInChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKeyGETTZEONDQJALK-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.11
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Toluene
CID 1140
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
Butylbenzene
CID 7705
Propylbenzene
CID 7668
Allylbenzene
CID 9309
trans-beta-METHYLSTYRENE
CID 252325
p-Fluorotoluene
CID 9603
m-Fluorotoluene
CID 9606
2-Fluorotoluene
CID 7241
p-Divinylbenzene
CID 66041

Frequently Asked Questions

What is the IUPAC name of trifluoromethylbenzene?
The IUPAC name of trifluoromethylbenzene (CID 7368) is trifluoromethylbenzene.
What is the SMILES notation for trifluoromethylbenzene?
The canonical SMILES for trifluoromethylbenzene is FC(F)(F)c1ccccc1.
What is the InChIKey of trifluoromethylbenzene?
The InChIKey is GETTZEONDQJALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H.
What are the key properties of trifluoromethylbenzene?
trifluoromethylbenzene has a molecular weight of 146.11 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylbenzene is sourced from PubChem (CID 7368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).