ethane;toluene;trifluoromethylbenzene

C16H19F3 — CID 161105309

IUPACethane;toluene;trifluoromethylbenzene
SMILESCC.Cc1ccccc1.FC(F)(F)c1ccccc1
InChIInChI=1S/C7H5F3.C7H8.C2H6/c8-7(9,10)6-4-2-1-3-5-6;1-7-5-3-2-4-6-7;1-2/h1-5H;2-6H,1H3;1-2H3
InChIKeyUIYZEYRPEGZHHZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP5.73
Rot. Bonds

About ethane;toluene;trifluoromethylbenzene

ethane;toluene;trifluoromethylbenzene (PubChem CID 161105309) has the molecular formula C16H19F3 and a molecular weight of 268.32 g/mol. Its IUPAC name is ethane;toluene;trifluoromethylbenzene.

Molecular Properties

Compound Nameethane;toluene;trifluoromethylbenzene
PubChem CID161105309
Molecular FormulaC16H19F3
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Nameethane;toluene;trifluoromethylbenzene
SMILESCC.Cc1ccccc1.FC(F)(F)c1ccccc1
InChIInChI=1S/C7H5F3.C7H8.C2H6/c8-7(9,10)6-4-2-1-3-5-6;1-7-5-3-2-4-6-7;1-2/h1-5H;2-6H,1H3;1-2H3
InChIKeyUIYZEYRPEGZHHZ-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.32
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;toluene;trifluoromethylbenzene?
The IUPAC name of ethane;toluene;trifluoromethylbenzene (CID 161105309) is ethane;toluene;trifluoromethylbenzene.
What is the SMILES notation for ethane;toluene;trifluoromethylbenzene?
The canonical SMILES for ethane;toluene;trifluoromethylbenzene is CC.Cc1ccccc1.FC(F)(F)c1ccccc1.
What is the InChIKey of ethane;toluene;trifluoromethylbenzene?
The InChIKey is UIYZEYRPEGZHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3.C7H8.C2H6/c8-7(9,10)6-4-2-1-3-5-6;1-7-5-3-2-4-6-7;1-2/h1-5H;2-6H,1H3;1-2H3.
What are the key properties of ethane;toluene;trifluoromethylbenzene?
ethane;toluene;trifluoromethylbenzene has a molecular weight of 268.32 g/mol, XLogP of 5.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;toluene;trifluoromethylbenzene is sourced from PubChem (CID 161105309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).