ethane;trifluoromethylsulfinylbenzene

C9H11F3OS — CID 142140628

IUPACethane;trifluoromethylsulfinylbenzene
SMILESCC.O=S(c1ccccc1)C(F)(F)F
InChIInChI=1S/C7H5F3OS.C2H6/c8-7(9,10)12(11)6-4-2-1-3-5-6;1-2/h1-5H;1-2H3
InChIKeyHBAKCYLWSIHQNX-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.34
Rot. Bonds1

About ethane;trifluoromethylsulfinylbenzene

ethane;trifluoromethylsulfinylbenzene (PubChem CID 142140628) has the molecular formula C9H11F3OS and a molecular weight of 224.25 g/mol. Its IUPAC name is ethane;trifluoromethylsulfinylbenzene.

Molecular Properties

Compound Nameethane;trifluoromethylsulfinylbenzene
PubChem CID142140628
Molecular FormulaC9H11F3OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Nameethane;trifluoromethylsulfinylbenzene
SMILESCC.O=S(c1ccccc1)C(F)(F)F
InChIInChI=1S/C7H5F3OS.C2H6/c8-7(9,10)12(11)6-4-2-1-3-5-6;1-2/h1-5H;1-2H3
InChIKeyHBAKCYLWSIHQNX-UHFFFAOYSA-N
XLogP3.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;trifluoromethylsulfinylbenzene?
The IUPAC name of ethane;trifluoromethylsulfinylbenzene (CID 142140628) is ethane;trifluoromethylsulfinylbenzene.
What is the SMILES notation for ethane;trifluoromethylsulfinylbenzene?
The canonical SMILES for ethane;trifluoromethylsulfinylbenzene is CC.O=S(c1ccccc1)C(F)(F)F.
What is the InChIKey of ethane;trifluoromethylsulfinylbenzene?
The InChIKey is HBAKCYLWSIHQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3OS.C2H6/c8-7(9,10)12(11)6-4-2-1-3-5-6;1-2/h1-5H;1-2H3.
What are the key properties of ethane;trifluoromethylsulfinylbenzene?
ethane;trifluoromethylsulfinylbenzene has a molecular weight of 224.25 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;trifluoromethylsulfinylbenzene is sourced from PubChem (CID 142140628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).