1-(trifluoromethoxy)-4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]benzene

C10H8F6O5S2 — CID 10548173

IUPAC1-(trifluoromethoxy)-4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]benzene
SMILESCC(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H8F6O5S2/c1-6(23(19,20)10(14,15)16)22(17,18)8-4-2-7(3-5-8)21-9(11,12)13/h2-6H,1H3
InChIKeyFXJXGPQDWAZHPA-UHFFFAOYSA-N
MW386.29 g/mol
LogP2.64
Rot. Bonds4

About 1-(trifluoromethoxy)-4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]benzene

1-(trifluoromethoxy)-4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]benzene (PubChem CID 10548173) has the molecular formula C10H8F6O5S2 and a molecular weight of 386.29 g/mol. Its IUPAC name is 1-(trifluoromethoxy)-4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]benzene.

Molecular Properties

Compound Name1-(trifluoromethoxy)-4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]benzene
PubChem CID10548173
Molecular FormulaC10H8F6O5S2
Molecular Weight386.29 g/mol
Exact Mass385.97
IUPAC Name1-(trifluoromethoxy)-4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]benzene
SMILESCC(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H8F6O5S2/c1-6(23(19,20)10(14,15)16)22(17,18)8-4-2-7(3-5-8)21-9(11,12)13/h2-6H,1H3
InChIKeyFXJXGPQDWAZHPA-UHFFFAOYSA-N
XLogP2.64
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)-4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]benzene?
The IUPAC name of 1-(trifluoromethoxy)-4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]benzene (CID 10548173) is 1-(trifluoromethoxy)-4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]benzene.
What is the SMILES notation for 1-(trifluoromethoxy)-4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]benzene?
The canonical SMILES for 1-(trifluoromethoxy)-4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]benzene is CC(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethoxy)-4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]benzene?
The InChIKey is FXJXGPQDWAZHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O5S2/c1-6(23(19,20)10(14,15)16)22(17,18)8-4-2-7(3-5-8)21-9(11,12)13/h2-6H,1H3.
What are the key properties of 1-(trifluoromethoxy)-4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]benzene?
1-(trifluoromethoxy)-4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]benzene has a molecular weight of 386.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)-4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]benzene is sourced from PubChem (CID 10548173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).