[trifluoro(diphenyl)-λ6-sulfanyl]-(trifluoromethylsulfonyl)methanol

C14H12F6O3S2 — CID 156682210

IUPAC[trifluoro(diphenyl)-λ6-sulfanyl]-(trifluoromethylsulfonyl)methanol
SMILESO=S(=O)(C(O)S(F)(F)(F)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H12F6O3S2/c15-14(16,17)24(22,23)13(21)25(18,19,20,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,21H
InChIKeyWKTLCTGCUICTFE-UHFFFAOYSA-N
MW406.37 g/mol
LogP4.84
Rot. Bonds4

About [trifluoro(diphenyl)-λ6-sulfanyl]-(trifluoromethylsulfonyl)methanol

[trifluoro(diphenyl)-λ6-sulfanyl]-(trifluoromethylsulfonyl)methanol (PubChem CID 156682210) has the molecular formula C14H12F6O3S2 and a molecular weight of 406.37 g/mol. Its IUPAC name is [trifluoro(diphenyl)-λ6-sulfanyl]-(trifluoromethylsulfonyl)methanol.

Molecular Properties

Compound Name[trifluoro(diphenyl)-λ6-sulfanyl]-(trifluoromethylsulfonyl)methanol
PubChem CID156682210
Molecular FormulaC14H12F6O3S2
Molecular Weight406.37 g/mol
Exact Mass406.01
IUPAC Name[trifluoro(diphenyl)-λ6-sulfanyl]-(trifluoromethylsulfonyl)methanol
SMILESO=S(=O)(C(O)S(F)(F)(F)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H12F6O3S2/c15-14(16,17)24(22,23)13(21)25(18,19,20,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,21H
InChIKeyWKTLCTGCUICTFE-UHFFFAOYSA-N
XLogP4.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [trifluoro(diphenyl)-λ6-sulfanyl]-(trifluoromethylsulfonyl)methanol?
The IUPAC name of [trifluoro(diphenyl)-λ6-sulfanyl]-(trifluoromethylsulfonyl)methanol (CID 156682210) is [trifluoro(diphenyl)-λ6-sulfanyl]-(trifluoromethylsulfonyl)methanol.
What is the SMILES notation for [trifluoro(diphenyl)-λ6-sulfanyl]-(trifluoromethylsulfonyl)methanol?
The canonical SMILES for [trifluoro(diphenyl)-λ6-sulfanyl]-(trifluoromethylsulfonyl)methanol is O=S(=O)(C(O)S(F)(F)(F)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of [trifluoro(diphenyl)-λ6-sulfanyl]-(trifluoromethylsulfonyl)methanol?
The InChIKey is WKTLCTGCUICTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6O3S2/c15-14(16,17)24(22,23)13(21)25(18,19,20,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,21H.
What are the key properties of [trifluoro(diphenyl)-λ6-sulfanyl]-(trifluoromethylsulfonyl)methanol?
[trifluoro(diphenyl)-λ6-sulfanyl]-(trifluoromethylsulfonyl)methanol has a molecular weight of 406.37 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [trifluoro(diphenyl)-λ6-sulfanyl]-(trifluoromethylsulfonyl)methanol is sourced from PubChem (CID 156682210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).