3,5-bis(trifluoromethylsulfonyl)phenol

C8H4F6O5S2 — CID 1288911

IUPAC3,5-bis(trifluoromethylsulfonyl)phenol
SMILESO=S(=O)(c1cc(O)cc(S(=O)(=O)C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C8H4F6O5S2/c9-7(10,11)20(16,17)5-1-4(15)2-6(3-5)21(18,19)8(12,13)14/h1-3,15H
InChIKeyMKTRVRROXMEBQR-UHFFFAOYSA-N
MW358.24 g/mol
LogP1.98
Rot. Bonds2

About 3,5-bis(trifluoromethylsulfonyl)phenol

3,5-bis(trifluoromethylsulfonyl)phenol (PubChem CID 1288911) has the molecular formula C8H4F6O5S2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 3,5-bis(trifluoromethylsulfonyl)phenol.

Molecular Properties

Compound Name3,5-bis(trifluoromethylsulfonyl)phenol
PubChem CID1288911
Molecular FormulaC8H4F6O5S2
Molecular Weight358.24 g/mol
Exact Mass357.94
IUPAC Name3,5-bis(trifluoromethylsulfonyl)phenol
SMILESO=S(=O)(c1cc(O)cc(S(=O)(=O)C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C8H4F6O5S2/c9-7(10,11)20(16,17)5-1-4(15)2-6(3-5)21(18,19)8(12,13)14/h1-3,15H
InChIKeyMKTRVRROXMEBQR-UHFFFAOYSA-N
XLogP1.98
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis(3-(trifluoromethylsulfonyl)phenol);zirconium
CID 161276997
4-(trifluoromethylsulfonyl)phenol
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2,6-dibromo-4-(trifluoromethylsulfonyl)phenol
CID 75406359
2-methyl-4,6-bis(trifluoromethylsulfonyl)phenol
CID 20665113
2,6-dinitro-4-(trifluoromethylsulfonyl)phenol
CID 15607727
1,2-difluoro-4-(trifluoromethylsulfonyl)benzene
CID 97109516
ethane;trifluoromethylsulfonylbenzene
CID 144556552
3-sulfanyl-4-(trifluoromethylsulfonyl)phenol
CID 71101601
1-chloro-2,4-bis(trifluoromethylsulfonyl)benzene
CID 3496072
trifluoromethylsulfonylazanide
CID 18339154
4-(trifluoromethylsulfonyl)-1,2-oxazole
CID 57485917
2-chloro-5-(trifluoromethylsulfonyl)pyrimidine
CID 170914160

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethylsulfonyl)phenol?
The IUPAC name of 3,5-bis(trifluoromethylsulfonyl)phenol (CID 1288911) is 3,5-bis(trifluoromethylsulfonyl)phenol.
What is the SMILES notation for 3,5-bis(trifluoromethylsulfonyl)phenol?
The canonical SMILES for 3,5-bis(trifluoromethylsulfonyl)phenol is O=S(=O)(c1cc(O)cc(S(=O)(=O)C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of 3,5-bis(trifluoromethylsulfonyl)phenol?
The InChIKey is MKTRVRROXMEBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6O5S2/c9-7(10,11)20(16,17)5-1-4(15)2-6(3-5)21(18,19)8(12,13)14/h1-3,15H.
What are the key properties of 3,5-bis(trifluoromethylsulfonyl)phenol?
3,5-bis(trifluoromethylsulfonyl)phenol has a molecular weight of 358.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethylsulfonyl)phenol is sourced from PubChem (CID 1288911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).