4-chloro-1-(difluoromethylsulfanyl)-2-fluorobenzene

C7H4ClF3S — CID 70999978

IUPAC4-chloro-1-(difluoromethylsulfanyl)-2-fluorobenzene
SMILESFc1cc(Cl)ccc1SC(F)F
InChIInChI=1S/C7H4ClF3S/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3,7H
InChIKeyYBDSKZNONUSWHG-UHFFFAOYSA-N
MW212.62 g/mol
LogP3.79
Rot. Bonds2

About 4-chloro-1-(difluoromethylsulfanyl)-2-fluorobenzene

4-chloro-1-(difluoromethylsulfanyl)-2-fluorobenzene (PubChem CID 70999978) has the molecular formula C7H4ClF3S and a molecular weight of 212.62 g/mol. Its IUPAC name is 4-chloro-1-(difluoromethylsulfanyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-chloro-1-(difluoromethylsulfanyl)-2-fluorobenzene
PubChem CID70999978
Molecular FormulaC7H4ClF3S
Molecular Weight212.62 g/mol
Exact Mass211.97
IUPAC Name4-chloro-1-(difluoromethylsulfanyl)-2-fluorobenzene
SMILESFc1cc(Cl)ccc1SC(F)F
InChIInChI=1S/C7H4ClF3S/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3,7H
InChIKeyYBDSKZNONUSWHG-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.62
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(difluoromethylsulfanyl)-2-fluorobenzene?
The IUPAC name of 4-chloro-1-(difluoromethylsulfanyl)-2-fluorobenzene (CID 70999978) is 4-chloro-1-(difluoromethylsulfanyl)-2-fluorobenzene.
What is the SMILES notation for 4-chloro-1-(difluoromethylsulfanyl)-2-fluorobenzene?
The canonical SMILES for 4-chloro-1-(difluoromethylsulfanyl)-2-fluorobenzene is Fc1cc(Cl)ccc1SC(F)F.
What is the InChIKey of 4-chloro-1-(difluoromethylsulfanyl)-2-fluorobenzene?
The InChIKey is YBDSKZNONUSWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3S/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3,7H.
What are the key properties of 4-chloro-1-(difluoromethylsulfanyl)-2-fluorobenzene?
4-chloro-1-(difluoromethylsulfanyl)-2-fluorobenzene has a molecular weight of 212.62 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(difluoromethylsulfanyl)-2-fluorobenzene is sourced from PubChem (CID 70999978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).