4-ethoxy-1-fluoro-2-methylsulfonylbenzene

C9H11FO3S — CID 164894645

IUPAC4-ethoxy-1-fluoro-2-methylsulfonylbenzene
SMILESCCOc1ccc(F)c(S(C)(=O)=O)c1
InChIInChI=1S/C9H11FO3S/c1-3-13-7-4-5-8(10)9(6-7)14(2,11)12/h4-6H,3H2,1-2H3
InChIKeyFYILZGRJHXOYFI-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.63
Rot. Bonds3

About 4-ethoxy-1-fluoro-2-methylsulfonylbenzene

4-ethoxy-1-fluoro-2-methylsulfonylbenzene (PubChem CID 164894645) has the molecular formula C9H11FO3S and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-ethoxy-1-fluoro-2-methylsulfonylbenzene.

Molecular Properties

Compound Name4-ethoxy-1-fluoro-2-methylsulfonylbenzene
PubChem CID164894645
Molecular FormulaC9H11FO3S
Molecular Weight218.25 g/mol
Exact Mass218.04
IUPAC Name4-ethoxy-1-fluoro-2-methylsulfonylbenzene
SMILESCCOc1ccc(F)c(S(C)(=O)=O)c1
InChIInChI=1S/C9H11FO3S/c1-3-13-7-4-5-8(10)9(6-7)14(2,11)12/h4-6H,3H2,1-2H3
InChIKeyFYILZGRJHXOYFI-UHFFFAOYSA-N
XLogP1.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Propoxybenzenesulfonamide
CID 21978067
4-Butoxybenzenesulfonamide
CID 2049187
3-{[4-(But-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol
CID 23627203
4-Ethoxybenzenesulfonamide
CID 3724005
Benzene, 1-methoxy-4-(methylsulfonyl)-
CID 137966
4-(4-Methoxy-benzenesulfonyl)-butane-2-thiol
CID 15516780
3-(4-Methoxy-benzenesulfonyl)-propane-1-thiol
CID 18411961
3-(4-Methoxy-benzenesulfonyl)-hexane-1-thiol
CID 19366844
3-(4-Methoxy-benzenesulfonyl)-pentane-1-thiol
CID 19366856
3-Methoxythioanisole
CID 281182
Thiol-aryl sulfone, 8a
CID 25138252
Vinylsulfone, 7
CID 44513271

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-fluoro-2-methylsulfonylbenzene?
The IUPAC name of 4-ethoxy-1-fluoro-2-methylsulfonylbenzene (CID 164894645) is 4-ethoxy-1-fluoro-2-methylsulfonylbenzene.
What is the SMILES notation for 4-ethoxy-1-fluoro-2-methylsulfonylbenzene?
The canonical SMILES for 4-ethoxy-1-fluoro-2-methylsulfonylbenzene is CCOc1ccc(F)c(S(C)(=O)=O)c1.
What is the InChIKey of 4-ethoxy-1-fluoro-2-methylsulfonylbenzene?
The InChIKey is FYILZGRJHXOYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3S/c1-3-13-7-4-5-8(10)9(6-7)14(2,11)12/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethoxy-1-fluoro-2-methylsulfonylbenzene?
4-ethoxy-1-fluoro-2-methylsulfonylbenzene has a molecular weight of 218.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-fluoro-2-methylsulfonylbenzene is sourced from PubChem (CID 164894645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).