(2,3,4,5,6-pentafluorophenyl) methanesulfonate

C7H3F5O3S — CID 2783233

IUPAC(2,3,4,5,6-pentafluorophenyl) methanesulfonate
SMILESCS(=O)(=O)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H3F5O3S/c1-16(13,14)15-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
InChIKeyARSIBVWMPYUPQT-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.72
Rot. Bonds2

About (2,3,4,5,6-pentafluorophenyl) methanesulfonate

(2,3,4,5,6-pentafluorophenyl) methanesulfonate (PubChem CID 2783233) has the molecular formula C7H3F5O3S and a molecular weight of 262.15 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl) methanesulfonate.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl) methanesulfonate
PubChem CID2783233
Molecular FormulaC7H3F5O3S
Molecular Weight262.15 g/mol
Exact Mass261.97
IUPAC Name(2,3,4,5,6-pentafluorophenyl) methanesulfonate
SMILESCS(=O)(=O)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H3F5O3S/c1-16(13,14)15-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
InChIKeyARSIBVWMPYUPQT-UHFFFAOYSA-N
XLogP1.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5,6-Pentafluorophenyl sulfamate
CID 11021701
Pentafluorophenyl Trifluoromethanesulfonate
CID 10041425
2,4-Difluorophenyl trifluoromethanesulphonate
CID 15440799
4-Fluorophenyl methanesulfonate
CID 10012729
Methanesulfonic acid 3-fluorophenyl ester
CID 15445368
2,3,4,5,6-Pentafluorophenyl 1-bromoethene-1-sulfonate
CID 44515753
Pentafluorophenyl vinylsulfonate
CID 2763990
2,3,4,5,6-Pentafluorophenolate
CID 12167465
(2,4,6-Trifluorophenyl) methanesulfonate
CID 87568803
2,3,4,5,6-Pentafluorophenyl 1-ethanesulfonate
CID 2783105
[2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl] methanesulfonate
CID 13214359
(2,3,4,5,6-Pentafluorophenyl) 3-oxobutane-1-sulfonate
CID 25197578

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl) methanesulfonate?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl) methanesulfonate (CID 2783233) is (2,3,4,5,6-pentafluorophenyl) methanesulfonate.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl) methanesulfonate?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl) methanesulfonate is CS(=O)(=O)Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl) methanesulfonate?
The InChIKey is ARSIBVWMPYUPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5O3S/c1-16(13,14)15-7-5(11)3(9)2(8)4(10)6(7)12/h1H3.
What are the key properties of (2,3,4,5,6-pentafluorophenyl) methanesulfonate?
(2,3,4,5,6-pentafluorophenyl) methanesulfonate has a molecular weight of 262.15 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl) methanesulfonate is sourced from PubChem (CID 2783233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).