1-ethylsulfinyl-2,3-difluorobenzene

C8H8F2OS — CID 66796026

IUPAC1-ethylsulfinyl-2,3-difluorobenzene
SMILESCCS(=O)c1cccc(F)c1F
InChIInChI=1S/C8H8F2OS/c1-2-12(11)7-5-3-4-6(9)8(7)10/h3-5H,2H2,1H3
InChIKeyDQOOLBOGKRECNB-UHFFFAOYSA-N
MW190.21 g/mol
LogP2.09
Rot. Bonds2

About 1-ethylsulfinyl-2,3-difluorobenzene

1-ethylsulfinyl-2,3-difluorobenzene (PubChem CID 66796026) has the molecular formula C8H8F2OS and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-ethylsulfinyl-2,3-difluorobenzene.

Molecular Properties

Compound Name1-ethylsulfinyl-2,3-difluorobenzene
PubChem CID66796026
Molecular FormulaC8H8F2OS
Molecular Weight190.21 g/mol
Exact Mass190.03
IUPAC Name1-ethylsulfinyl-2,3-difluorobenzene
SMILESCCS(=O)c1cccc(F)c1F
InChIInChI=1S/C8H8F2OS/c1-2-12(11)7-5-3-4-6(9)8(7)10/h3-5H,2H2,1H3
InChIKeyDQOOLBOGKRECNB-UHFFFAOYSA-N
XLogP2.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-ethylsulfinyl-2-methylaniline
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1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
1,2,3-trifluorobenzene
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1-(2-fluorophenyl)sulfinylbutan-2-amine
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CID 107120145
1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol
CID 115476910
1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene
CID 102862309
3-ethylsulfinyl-2-propan-2-ylpyridine
CID 18741294
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinyl-2,3-difluorobenzene?
The IUPAC name of 1-ethylsulfinyl-2,3-difluorobenzene (CID 66796026) is 1-ethylsulfinyl-2,3-difluorobenzene.
What is the SMILES notation for 1-ethylsulfinyl-2,3-difluorobenzene?
The canonical SMILES for 1-ethylsulfinyl-2,3-difluorobenzene is CCS(=O)c1cccc(F)c1F.
What is the InChIKey of 1-ethylsulfinyl-2,3-difluorobenzene?
The InChIKey is DQOOLBOGKRECNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2OS/c1-2-12(11)7-5-3-4-6(9)8(7)10/h3-5H,2H2,1H3.
What are the key properties of 1-ethylsulfinyl-2,3-difluorobenzene?
1-ethylsulfinyl-2,3-difluorobenzene has a molecular weight of 190.21 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinyl-2,3-difluorobenzene is sourced from PubChem (CID 66796026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).