2-(2-methoxyphenyl)ethynesulfonyl fluoride

C9H7FO3S — CID 162408413

IUPAC2-(2-methoxyphenyl)ethynesulfonyl fluoride
SMILESCOc1ccccc1C#CS(=O)(=O)F
InChIInChI=1S/C9H7FO3S/c1-13-9-5-3-2-4-8(9)6-7-14(10,11)12/h2-5H,1H3
InChIKeyPFJUAPPIAXWKOL-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.30
Rot. Bonds1

About 2-(2-methoxyphenyl)ethynesulfonyl fluoride

2-(2-methoxyphenyl)ethynesulfonyl fluoride (PubChem CID 162408413) has the molecular formula C9H7FO3S and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)ethynesulfonyl fluoride.

Molecular Properties

Compound Name2-(2-methoxyphenyl)ethynesulfonyl fluoride
PubChem CID162408413
Molecular FormulaC9H7FO3S
Molecular Weight214.22 g/mol
Exact Mass214.01
IUPAC Name2-(2-methoxyphenyl)ethynesulfonyl fluoride
SMILESCOc1ccccc1C#CS(=O)(=O)F
InChIInChI=1S/C9H7FO3S/c1-13-9-5-3-2-4-8(9)6-7-14(10,11)12/h2-5H,1H3
InChIKeyPFJUAPPIAXWKOL-UHFFFAOYSA-N
XLogP1.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene
CID 11313747
3,5-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzenesulfonamide
CID 90553263
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
1-(3-bromoprop-1-ynyl)-2-methoxybenzene
CID 19973041
2-[2-(2-methoxyphenyl)ethynyl]benzaldehyde
CID 25215814
N-[3-(2-methoxyphenyl)prop-2-ynyl]propane-1-sulfonamide
CID 90553197
1-methoxy-2-[2-[4-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]phenyl]ethynyl]benzene
CID 70271277
2-[2-(2-methoxyphenyl)phenyl]ethynyl-trimethyl-λ4-sulfane
CID 139473541
2,7-bis[2-(2-methoxyphenyl)ethynyl]pyrene
CID 102431257
3-(2-methoxyphenyl)-N-methylprop-2-ynamide
CID 154718529
2-[2-(2-methoxyphenyl)ethynyl]benzene-1,3-diamine
CID 102223785
1-(3-chloro-3-methylbut-1-ynyl)-2-methoxybenzene
CID 130055802

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)ethynesulfonyl fluoride?
The IUPAC name of 2-(2-methoxyphenyl)ethynesulfonyl fluoride (CID 162408413) is 2-(2-methoxyphenyl)ethynesulfonyl fluoride.
What is the SMILES notation for 2-(2-methoxyphenyl)ethynesulfonyl fluoride?
The canonical SMILES for 2-(2-methoxyphenyl)ethynesulfonyl fluoride is COc1ccccc1C#CS(=O)(=O)F.
What is the InChIKey of 2-(2-methoxyphenyl)ethynesulfonyl fluoride?
The InChIKey is PFJUAPPIAXWKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO3S/c1-13-9-5-3-2-4-8(9)6-7-14(10,11)12/h2-5H,1H3.
What are the key properties of 2-(2-methoxyphenyl)ethynesulfonyl fluoride?
2-(2-methoxyphenyl)ethynesulfonyl fluoride has a molecular weight of 214.22 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)ethynesulfonyl fluoride is sourced from PubChem (CID 162408413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).