1-[2-hydroxy-6-(trifluoromethylsulfonyl)naphthalen-1-yl]-6-(trifluoromethylsulfonyl)naphthalen-2-ol

C22H12F6O6S2 — CID 11613678

IUPAC1-[2-hydroxy-6-(trifluoromethylsulfonyl)naphthalen-1-yl]-6-(trifluoromethylsulfonyl)naphthalen-2-ol
SMILESO=S(=O)(c1ccc2c(-c3c(O)ccc4cc(S(=O)(=O)C(F)(F)F)ccc34)c(O)ccc2c1)C(F)(F)F
InChIInChI=1S/C22H12F6O6S2/c23-21(24,25)35(31,32)13-3-5-15-11(9-13)1-7-17(29)19(15)20-16-6-4-14(36(33,34)22(26,27)28)10-12(16)2-8-18(20)30/h1-10,29-30H
InChIKeyRFDRVPNQDSGYSZ-UHFFFAOYSA-N
MW550.45 g/mol
LogP5.66
Rot. Bonds3

About 1-[2-hydroxy-6-(trifluoromethylsulfonyl)naphthalen-1-yl]-6-(trifluoromethylsulfonyl)naphthalen-2-ol

1-[2-hydroxy-6-(trifluoromethylsulfonyl)naphthalen-1-yl]-6-(trifluoromethylsulfonyl)naphthalen-2-ol (PubChem CID 11613678) has the molecular formula C22H12F6O6S2 and a molecular weight of 550.45 g/mol. Its IUPAC name is 1-[2-hydroxy-6-(trifluoromethylsulfonyl)naphthalen-1-yl]-6-(trifluoromethylsulfonyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-hydroxy-6-(trifluoromethylsulfonyl)naphthalen-1-yl]-6-(trifluoromethylsulfonyl)naphthalen-2-ol
PubChem CID11613678
Molecular FormulaC22H12F6O6S2
Molecular Weight550.45 g/mol
Exact Mass550.00
IUPAC Name1-[2-hydroxy-6-(trifluoromethylsulfonyl)naphthalen-1-yl]-6-(trifluoromethylsulfonyl)naphthalen-2-ol
SMILESO=S(=O)(c1ccc2c(-c3c(O)ccc4cc(S(=O)(=O)C(F)(F)F)ccc34)c(O)ccc2c1)C(F)(F)F
InChIInChI=1S/C22H12F6O6S2/c23-21(24,25)35(31,32)13-3-5-15-11(9-13)1-7-17(29)19(15)20-16-6-4-14(36(33,34)22(26,27)28)10-12(16)2-8-18(20)30/h1-10,29-30H
InChIKeyRFDRVPNQDSGYSZ-UHFFFAOYSA-N
XLogP5.66
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.45
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Phenylsulfonyl)naphthalene-1,4-diol
CID 15657226
(S)-(+)-1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate)
CID 389883
2-Tosylanthracene-1,4-diol
CID 44562748
2-(Naphthalen-2-ylsulfonyl)naphthalene-1,4-diol
CID 44562747
2-(4-Methanesulfonyl-benzyl)-naphthalen-1-ol
CID 15617894
6-(3-Hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol
CID 24949871
1-(Benzenesulfonyl)-6-(3-hydroxyphenyl)naphthalen-2-ol
CID 24950392
2-Naphthalenesulfonic acid, 3-((5-hydroxy-2-((4-hydroxyphenyl)sulfonyl)phenyl)methyl)-, sodium salt (1:1)
CID 23668783
(aR)-2'-(Trifluoromethylsulfonyloxy)-1,1'-binaphthalene-2-ol
CID 11668881
[1-[2-(Trifluoromethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 4-methylbenzenesulfonate
CID 16120827
3-Hydroxy-5,8,10-pyrenetrisulfonic acid
CID 21872910
2,6-Bis(trifluoromethylsulfonyloxy)-3,7-bis(methylthio)anthracene
CID 71486364

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-6-(trifluoromethylsulfonyl)naphthalen-1-yl]-6-(trifluoromethylsulfonyl)naphthalen-2-ol?
The IUPAC name of 1-[2-hydroxy-6-(trifluoromethylsulfonyl)naphthalen-1-yl]-6-(trifluoromethylsulfonyl)naphthalen-2-ol (CID 11613678) is 1-[2-hydroxy-6-(trifluoromethylsulfonyl)naphthalen-1-yl]-6-(trifluoromethylsulfonyl)naphthalen-2-ol.
What is the SMILES notation for 1-[2-hydroxy-6-(trifluoromethylsulfonyl)naphthalen-1-yl]-6-(trifluoromethylsulfonyl)naphthalen-2-ol?
The canonical SMILES for 1-[2-hydroxy-6-(trifluoromethylsulfonyl)naphthalen-1-yl]-6-(trifluoromethylsulfonyl)naphthalen-2-ol is O=S(=O)(c1ccc2c(-c3c(O)ccc4cc(S(=O)(=O)C(F)(F)F)ccc34)c(O)ccc2c1)C(F)(F)F.
What is the InChIKey of 1-[2-hydroxy-6-(trifluoromethylsulfonyl)naphthalen-1-yl]-6-(trifluoromethylsulfonyl)naphthalen-2-ol?
The InChIKey is RFDRVPNQDSGYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F6O6S2/c23-21(24,25)35(31,32)13-3-5-15-11(9-13)1-7-17(29)19(15)20-16-6-4-14(36(33,34)22(26,27)28)10-12(16)2-8-18(20)30/h1-10,29-30H.
What are the key properties of 1-[2-hydroxy-6-(trifluoromethylsulfonyl)naphthalen-1-yl]-6-(trifluoromethylsulfonyl)naphthalen-2-ol?
1-[2-hydroxy-6-(trifluoromethylsulfonyl)naphthalen-1-yl]-6-(trifluoromethylsulfonyl)naphthalen-2-ol has a molecular weight of 550.45 g/mol, XLogP of 5.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-6-(trifluoromethylsulfonyl)naphthalen-1-yl]-6-(trifluoromethylsulfonyl)naphthalen-2-ol is sourced from PubChem (CID 11613678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).