1-(2-ethylsulfinylethyl)-2-fluorobenzene

C10H13FOS — CID 66796569

IUPAC1-(2-ethylsulfinylethyl)-2-fluorobenzene
SMILESCCS(=O)CCc1ccccc1F
InChIInChI=1S/C10H13FOS/c1-2-13(12)8-7-9-5-3-4-6-10(9)11/h3-6H,2,7-8H2,1H3
InChIKeyLVNJLKJSVANPBB-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds4

About 1-(2-ethylsulfinylethyl)-2-fluorobenzene

1-(2-ethylsulfinylethyl)-2-fluorobenzene (PubChem CID 66796569) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2-ethylsulfinylethyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(2-ethylsulfinylethyl)-2-fluorobenzene
PubChem CID66796569
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name1-(2-ethylsulfinylethyl)-2-fluorobenzene
SMILESCCS(=O)CCc1ccccc1F
InChIInChI=1S/C10H13FOS/c1-2-13(12)8-7-9-5-3-4-6-10(9)11/h3-6H,2,7-8H2,1H3
InChIKeyLVNJLKJSVANPBB-UHFFFAOYSA-N
XLogP2.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 115627127
azane;1-ethyl-2-fluorobenzene
CID 66657049
1-fluoro-2-heptylbenzene
CID 20721019
3-[(2-fluorophenyl)methylsulfinyl]propanoic acid
CID 60982003
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
1-fluoro-2-(2-iodoethyl)benzene
CID 11021288
1,5-bis(2-fluorophenyl)pentan-3-one
CID 70057472
ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
CID 155737119
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene
CID 67503932
ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 155737133
3-(2-fluorophenyl)propanoic acid
CID 2063866

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfinylethyl)-2-fluorobenzene?
The IUPAC name of 1-(2-ethylsulfinylethyl)-2-fluorobenzene (CID 66796569) is 1-(2-ethylsulfinylethyl)-2-fluorobenzene.
What is the SMILES notation for 1-(2-ethylsulfinylethyl)-2-fluorobenzene?
The canonical SMILES for 1-(2-ethylsulfinylethyl)-2-fluorobenzene is CCS(=O)CCc1ccccc1F.
What is the InChIKey of 1-(2-ethylsulfinylethyl)-2-fluorobenzene?
The InChIKey is LVNJLKJSVANPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c1-2-13(12)8-7-9-5-3-4-6-10(9)11/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-(2-ethylsulfinylethyl)-2-fluorobenzene?
1-(2-ethylsulfinylethyl)-2-fluorobenzene has a molecular weight of 200.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfinylethyl)-2-fluorobenzene is sourced from PubChem (CID 66796569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).