1-(difluoromethylsulfanyl)-4-fluorobenzene

C7H5F3S — CID 82074956

IUPAC1-(difluoromethylsulfanyl)-4-fluorobenzene
SMILESFc1ccc(SC(F)F)cc1
InChIInChI=1S/C7H5F3S/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H
InChIKeyGUMLVALGNHCDBO-UHFFFAOYSA-N
MW178.18 g/mol
LogP3.14
Rot. Bonds2

About 1-(difluoromethylsulfanyl)-4-fluorobenzene

1-(difluoromethylsulfanyl)-4-fluorobenzene (PubChem CID 82074956) has the molecular formula C7H5F3S and a molecular weight of 178.18 g/mol. Its IUPAC name is 1-(difluoromethylsulfanyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(difluoromethylsulfanyl)-4-fluorobenzene
PubChem CID82074956
Molecular FormulaC7H5F3S
Molecular Weight178.18 g/mol
Exact Mass178.01
IUPAC Name1-(difluoromethylsulfanyl)-4-fluorobenzene
SMILESFc1ccc(SC(F)F)cc1
InChIInChI=1S/C7H5F3S/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H
InChIKeyGUMLVALGNHCDBO-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfanyl)-4-fluorobenzene?
The IUPAC name of 1-(difluoromethylsulfanyl)-4-fluorobenzene (CID 82074956) is 1-(difluoromethylsulfanyl)-4-fluorobenzene.
What is the SMILES notation for 1-(difluoromethylsulfanyl)-4-fluorobenzene?
The canonical SMILES for 1-(difluoromethylsulfanyl)-4-fluorobenzene is Fc1ccc(SC(F)F)cc1.
What is the InChIKey of 1-(difluoromethylsulfanyl)-4-fluorobenzene?
The InChIKey is GUMLVALGNHCDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3S/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H.
What are the key properties of 1-(difluoromethylsulfanyl)-4-fluorobenzene?
1-(difluoromethylsulfanyl)-4-fluorobenzene has a molecular weight of 178.18 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfanyl)-4-fluorobenzene is sourced from PubChem (CID 82074956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).