6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)naphthalen-2-ol

C32H14F26O6S2 — CID 139183804

IUPAC6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)naphthalen-2-ol
SMILESO=S(=O)(c1ccc2cc(O)ccc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(c1ccc2cc(O)ccc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/2C16H7F13O3S/c2*17-11(18,13(21,22)15(25,26)27)12(19,20)14(23,24)16(28,29)33(31,32)10-4-2-7-5-9(30)3-1-8(7)6-10/h2*1-6,30H
InChIKeyNBJPAEFZRYKSBM-UHFFFAOYSA-N
MW1052.54 g/mol
LogP12.03
Rot. Bonds12

About 6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)naphthalen-2-ol

6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)naphthalen-2-ol (PubChem CID 139183804) has the molecular formula C32H14F26O6S2 and a molecular weight of 1052.54 g/mol. Its IUPAC name is 6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)naphthalen-2-ol
PubChem CID139183804
Molecular FormulaC32H14F26O6S2
Molecular Weight1052.54 g/mol
Exact Mass1051.98
IUPAC Name6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)naphthalen-2-ol
SMILESO=S(=O)(c1ccc2cc(O)ccc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(c1ccc2cc(O)ccc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/2C16H7F13O3S/c2*17-11(18,13(21,22)15(25,26)27)12(19,20)14(23,24)16(28,29)33(31,32)10-4-2-7-5-9(30)3-1-8(7)6-10/h2*1-6,30H
InChIKeyNBJPAEFZRYKSBM-UHFFFAOYSA-N
XLogP12.03
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001052.54
LogP ≤ 512.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2'-Dihydroxy-6,6'-dinaphthyldisulfide
CID 22463
2-(Naphthalen-2-ylsulfonyl)naphthalene-1,4-diol
CID 44562747
4-(4-Hydroxyphenyl)sulfonylnaphthalen-1-ol
CID 16226213
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
1-Fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 161630217
6-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexylsulfonyl)naphthalen-2-ol
CID 5257306
1-[2-Hydroxy-6-(trifluoromethylsulfonyl)naphthalen-1-yl]-6-(trifluoromethylsulfonyl)naphthalen-2-ol
CID 11613678
1-[2-[Bis(trifluoromethylsulfonyl)methyl]naphthalen-1-yl]naphthalen-2-ol
CID 11845511
1-[2-Hydroxy-3-(trifluoromethylsulfonyl)naphthalen-1-yl]-3-(trifluoromethylsulfonyl)naphthalen-2-ol
CID 12095460
1-Naphthalen-2-ylsulfanylnaphthalen-2-ol
CID 232050

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)naphthalen-2-ol?
The IUPAC name of 6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)naphthalen-2-ol (CID 139183804) is 6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)naphthalen-2-ol.
What is the SMILES notation for 6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)naphthalen-2-ol?
The canonical SMILES for 6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)naphthalen-2-ol is O=S(=O)(c1ccc2cc(O)ccc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(c1ccc2cc(O)ccc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)naphthalen-2-ol?
The InChIKey is NBJPAEFZRYKSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H7F13O3S/c2*17-11(18,13(21,22)15(25,26)27)12(19,20)14(23,24)16(28,29)33(31,32)10-4-2-7-5-9(30)3-1-8(7)6-10/h2*1-6,30H.
What are the key properties of 6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)naphthalen-2-ol?
6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)naphthalen-2-ol has a molecular weight of 1052.54 g/mol, XLogP of 12.03, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)naphthalen-2-ol is sourced from PubChem (CID 139183804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).