(4-nitrosophenyl) trifluoromethanesulfonate

C7H4F3NO4S — CID 174465384

IUPAC(4-nitrosophenyl) trifluoromethanesulfonate
SMILESO=Nc1ccc(OS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C7H4F3NO4S/c8-7(9,10)16(13,14)15-6-3-1-5(11-12)2-4-6/h1-4H
InChIKeyCLVKMPCHFVWDCU-UHFFFAOYSA-N
MW255.17 g/mol
LogP2.31
Rot. Bonds3

About (4-nitrosophenyl) trifluoromethanesulfonate

(4-nitrosophenyl) trifluoromethanesulfonate (PubChem CID 174465384) has the molecular formula C7H4F3NO4S and a molecular weight of 255.17 g/mol. Its IUPAC name is (4-nitrosophenyl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(4-nitrosophenyl) trifluoromethanesulfonate
PubChem CID174465384
Molecular FormulaC7H4F3NO4S
Molecular Weight255.17 g/mol
Exact Mass254.98
IUPAC Name(4-nitrosophenyl) trifluoromethanesulfonate
SMILESO=Nc1ccc(OS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C7H4F3NO4S/c8-7(9,10)16(13,14)15-6-3-1-5(11-12)2-4-6/h1-4H
InChIKeyCLVKMPCHFVWDCU-UHFFFAOYSA-N
XLogP2.31
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.17
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl) trifluoromethanesulfonate
CID 581424
bis[4-(trifluoromethylsulfonyloxy)phenyl]iodanium
CID 154723322
4-(trifluoromethylsulfonyloxy)benzenesulfonic acid
CID 20671199
[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl] trifluoromethanesulfonate
CID 11761662
[4-(trifluoromethylsulfonyloxy)phenyl]boronic acid
CID 101156352
[3,5-bis(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate
CID 19421193
N,N-dimethylmethanamine;4-(trifluoromethylsulfonyloxy)benzoic acid
CID 173103797
[4-[1,1,2,2,3,3,4,4-octafluoro-4-[4-[4-[1,1,2,2,3,3,4,4-octafluoro-4-[4-(trifluoromethylsulfonyloxy)phenyl]butyl]phenoxy]phenyl]butyl]phenyl] trifluoromethanesulfonate
CID 22603567
2-hydroxy-2-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid
CID 101487578
[4-[2-(4-bromophenyl)ethynyl]phenyl] trifluoromethanesulfonate
CID 10740035
[4-(phenylmethoxymethyl)phenyl] trifluoromethanesulfonate
CID 122380140
4-(trifluoromethylsulfonyloxy)phthalic acid
CID 87855598

Frequently Asked Questions

What is the IUPAC name of (4-nitrosophenyl) trifluoromethanesulfonate?
The IUPAC name of (4-nitrosophenyl) trifluoromethanesulfonate (CID 174465384) is (4-nitrosophenyl) trifluoromethanesulfonate.
What is the SMILES notation for (4-nitrosophenyl) trifluoromethanesulfonate?
The canonical SMILES for (4-nitrosophenyl) trifluoromethanesulfonate is O=Nc1ccc(OS(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of (4-nitrosophenyl) trifluoromethanesulfonate?
The InChIKey is CLVKMPCHFVWDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO4S/c8-7(9,10)16(13,14)15-6-3-1-5(11-12)2-4-6/h1-4H.
What are the key properties of (4-nitrosophenyl) trifluoromethanesulfonate?
(4-nitrosophenyl) trifluoromethanesulfonate has a molecular weight of 255.17 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrosophenyl) trifluoromethanesulfonate is sourced from PubChem (CID 174465384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).