1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfonylbenzene

C14H8F6O2S — CID 22906577

IUPAC1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfonylbenzene
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8F6O2S/c15-13(16,17)9-3-1-5-11(7-9)23(21,22)12-6-2-4-10(8-12)14(18,19)20/h1-8H
InChIKeySZZOUKAJXUZSAI-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.56
Rot. Bonds2

About 1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfonylbenzene

1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfonylbenzene (PubChem CID 22906577) has the molecular formula C14H8F6O2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfonylbenzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfonylbenzene
PubChem CID22906577
Molecular FormulaC14H8F6O2S
Molecular Weight354.27 g/mol
Exact Mass354.01
IUPAC Name1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfonylbenzene
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8F6O2S/c15-13(16,17)9-3-1-5-11(7-9)23(21,22)12-6-2-4-10(8-12)14(18,19)20/h1-8H
InChIKeySZZOUKAJXUZSAI-UHFFFAOYSA-N
XLogP4.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfonylbenzene?
The IUPAC name of 1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfonylbenzene (CID 22906577) is 1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfonylbenzene.
What is the SMILES notation for 1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfonylbenzene?
The canonical SMILES for 1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfonylbenzene is O=S(=O)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfonylbenzene?
The InChIKey is SZZOUKAJXUZSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6O2S/c15-13(16,17)9-3-1-5-11(7-9)23(21,22)12-6-2-4-10(8-12)14(18,19)20/h1-8H.
What are the key properties of 1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfonylbenzene?
1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfonylbenzene has a molecular weight of 354.27 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]sulfonylbenzene is sourced from PubChem (CID 22906577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).