chlorobenzene;trifluoromethylbenzene

C13H10ClF3 — CID 159341337

IUPACchlorobenzene;trifluoromethylbenzene
SMILESClc1ccccc1.FC(F)(F)c1ccccc1
InChIInChI=1S/C7H5F3.C6H5Cl/c8-7(9,10)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5H;1-5H
InChIKeyLGEGXTGRNMTIMS-UHFFFAOYSA-N
MW258.67 g/mol
LogP5.05
Rot. Bonds

About chlorobenzene;trifluoromethylbenzene

chlorobenzene;trifluoromethylbenzene (PubChem CID 159341337) has the molecular formula C13H10ClF3 and a molecular weight of 258.67 g/mol. Its IUPAC name is chlorobenzene;trifluoromethylbenzene.

Molecular Properties

Compound Namechlorobenzene;trifluoromethylbenzene
PubChem CID159341337
Molecular FormulaC13H10ClF3
Molecular Weight258.67 g/mol
Exact Mass258.04
IUPAC Namechlorobenzene;trifluoromethylbenzene
SMILESClc1ccccc1.FC(F)(F)c1ccccc1
InChIInChI=1S/C7H5F3.C6H5Cl/c8-7(9,10)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5H;1-5H
InChIKeyLGEGXTGRNMTIMS-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.67
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of chlorobenzene;trifluoromethylbenzene?
The IUPAC name of chlorobenzene;trifluoromethylbenzene (CID 159341337) is chlorobenzene;trifluoromethylbenzene.
What is the SMILES notation for chlorobenzene;trifluoromethylbenzene?
The canonical SMILES for chlorobenzene;trifluoromethylbenzene is Clc1ccccc1.FC(F)(F)c1ccccc1.
What is the InChIKey of chlorobenzene;trifluoromethylbenzene?
The InChIKey is LGEGXTGRNMTIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3.C6H5Cl/c8-7(9,10)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5H;1-5H.
What are the key properties of chlorobenzene;trifluoromethylbenzene?
chlorobenzene;trifluoromethylbenzene has a molecular weight of 258.67 g/mol, XLogP of 5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;trifluoromethylbenzene is sourced from PubChem (CID 159341337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).