2-(difluoromethyl)-6-fluorobenzenesulfinyl chloride

C7H4ClF3OS — CID 176961439

IUPAC2-(difluoromethyl)-6-fluorobenzenesulfinyl chloride
SMILESO=S(Cl)c1c(F)cccc1C(F)F
InChIInChI=1S/C7H4ClF3OS/c8-13(12)6-4(7(10)11)2-1-3-5(6)9/h1-3,7H
InChIKeyJUTOKONQXHPCQR-UHFFFAOYSA-N
MW228.62 g/mol
LogP3.02
Rot. Bonds2

About 2-(difluoromethyl)-6-fluorobenzenesulfinyl chloride

2-(difluoromethyl)-6-fluorobenzenesulfinyl chloride (PubChem CID 176961439) has the molecular formula C7H4ClF3OS and a molecular weight of 228.62 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-fluorobenzenesulfinyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-6-fluorobenzenesulfinyl chloride
PubChem CID176961439
Molecular FormulaC7H4ClF3OS
Molecular Weight228.62 g/mol
Exact Mass227.96
IUPAC Name2-(difluoromethyl)-6-fluorobenzenesulfinyl chloride
SMILESO=S(Cl)c1c(F)cccc1C(F)F
InChIInChI=1S/C7H4ClF3OS/c8-13(12)6-4(7(10)11)2-1-3-5(6)9/h1-3,7H
InChIKeyJUTOKONQXHPCQR-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.62
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(difluoromethyl)-6-fluorobenzaldehyde
CID 84654806
1-(difluoromethyl)-8-fluoronaphthalene
CID 118841607
2-chloro-3-fluorobenzenesulfinyl chloride
CID 144889257
1-(2-fluorophenyl)ethanesulfinate
CID 174586721
3-(difluoromethyl)-2-fluorobenzoyl chloride
CID 151173886
3-bromo-1-[2-(difluoromethyl)-6-fluorophenyl]propan-1-one
CID 134625173
2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid
CID 165489779
2-fluoro-2-(2-fluorophenyl)acetamide
CID 115013813
1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane
CID 164564324
1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene
CID 126565772
[amino-(2-fluorophenyl)methyl] sulfite
CID 174565028
bis(2-fluorophenyl)methanol
CID 18424663

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-fluorobenzenesulfinyl chloride?
The IUPAC name of 2-(difluoromethyl)-6-fluorobenzenesulfinyl chloride (CID 176961439) is 2-(difluoromethyl)-6-fluorobenzenesulfinyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-6-fluorobenzenesulfinyl chloride?
The canonical SMILES for 2-(difluoromethyl)-6-fluorobenzenesulfinyl chloride is O=S(Cl)c1c(F)cccc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-6-fluorobenzenesulfinyl chloride?
The InChIKey is JUTOKONQXHPCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3OS/c8-13(12)6-4(7(10)11)2-1-3-5(6)9/h1-3,7H.
What are the key properties of 2-(difluoromethyl)-6-fluorobenzenesulfinyl chloride?
2-(difluoromethyl)-6-fluorobenzenesulfinyl chloride has a molecular weight of 228.62 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-fluorobenzenesulfinyl chloride is sourced from PubChem (CID 176961439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).