(4-ethyl-2,3-difluorophenyl) thiohypofluorite

C8H7F3S — CID 167238139

IUPAC(4-ethyl-2,3-difluorophenyl) thiohypofluorite
SMILESCCc1ccc(SF)c(F)c1F
InChIInChI=1S/C8H7F3S/c1-2-5-3-4-6(12-11)8(10)7(5)9/h3-4H,2H2,1H3
InChIKeyFLSRTZUFDFFKMR-UHFFFAOYSA-N
MW192.21 g/mol
LogP3.50
Rot. Bonds2

About (4-ethyl-2,3-difluorophenyl) thiohypofluorite

(4-ethyl-2,3-difluorophenyl) thiohypofluorite (PubChem CID 167238139) has the molecular formula C8H7F3S and a molecular weight of 192.21 g/mol. Its IUPAC name is (4-ethyl-2,3-difluorophenyl) thiohypofluorite.

Molecular Properties

Compound Name(4-ethyl-2,3-difluorophenyl) thiohypofluorite
PubChem CID167238139
Molecular FormulaC8H7F3S
Molecular Weight192.21 g/mol
Exact Mass192.02
IUPAC Name(4-ethyl-2,3-difluorophenyl) thiohypofluorite
SMILESCCc1ccc(SF)c(F)c1F
InChIInChI=1S/C8H7F3S/c1-2-5-3-4-6(12-11)8(10)7(5)9/h3-4H,2H2,1H3
InChIKeyFLSRTZUFDFFKMR-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene
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1-ethyl-3-fluoro-4-methyl-2-propan-2-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2,3-difluorophenyl) thiohypofluorite?
The IUPAC name of (4-ethyl-2,3-difluorophenyl) thiohypofluorite (CID 167238139) is (4-ethyl-2,3-difluorophenyl) thiohypofluorite.
What is the SMILES notation for (4-ethyl-2,3-difluorophenyl) thiohypofluorite?
The canonical SMILES for (4-ethyl-2,3-difluorophenyl) thiohypofluorite is CCc1ccc(SF)c(F)c1F.
What is the InChIKey of (4-ethyl-2,3-difluorophenyl) thiohypofluorite?
The InChIKey is FLSRTZUFDFFKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3S/c1-2-5-3-4-6(12-11)8(10)7(5)9/h3-4H,2H2,1H3.
What are the key properties of (4-ethyl-2,3-difluorophenyl) thiohypofluorite?
(4-ethyl-2,3-difluorophenyl) thiohypofluorite has a molecular weight of 192.21 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2,3-difluorophenyl) thiohypofluorite is sourced from PubChem (CID 167238139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).