1,2-difluoro-3-(fluoromethylsulfanyl)but-2-ene

C5H7F3S — CID 123527152

IUPAC1,2-difluoro-3-(fluoromethylsulfanyl)but-2-ene
SMILESCC(SCF)=C(F)CF
InChIInChI=1S/C5H7F3S/c1-4(9-3-7)5(8)2-6/h2-3H2,1H3
InChIKeyZOIKIQJBXXXODL-UHFFFAOYSA-N
MW156.17 g/mol
LogP2.82
Rot. Bonds3

About 1,2-difluoro-3-(fluoromethylsulfanyl)but-2-ene

1,2-difluoro-3-(fluoromethylsulfanyl)but-2-ene (PubChem CID 123527152) has the molecular formula C5H7F3S and a molecular weight of 156.17 g/mol. Its IUPAC name is 1,2-difluoro-3-(fluoromethylsulfanyl)but-2-ene.

Molecular Properties

Compound Name1,2-difluoro-3-(fluoromethylsulfanyl)but-2-ene
PubChem CID123527152
Molecular FormulaC5H7F3S
Molecular Weight156.17 g/mol
Exact Mass156.02
IUPAC Name1,2-difluoro-3-(fluoromethylsulfanyl)but-2-ene
SMILESCC(SCF)=C(F)CF
InChIInChI=1S/C5H7F3S/c1-4(9-3-7)5(8)2-6/h2-3H2,1H3
InChIKeyZOIKIQJBXXXODL-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(fluoromethylsulfanyl)but-2-ene?
The IUPAC name of 1,2-difluoro-3-(fluoromethylsulfanyl)but-2-ene (CID 123527152) is 1,2-difluoro-3-(fluoromethylsulfanyl)but-2-ene.
What is the SMILES notation for 1,2-difluoro-3-(fluoromethylsulfanyl)but-2-ene?
The canonical SMILES for 1,2-difluoro-3-(fluoromethylsulfanyl)but-2-ene is CC(SCF)=C(F)CF.
What is the InChIKey of 1,2-difluoro-3-(fluoromethylsulfanyl)but-2-ene?
The InChIKey is ZOIKIQJBXXXODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3S/c1-4(9-3-7)5(8)2-6/h2-3H2,1H3.
What are the key properties of 1,2-difluoro-3-(fluoromethylsulfanyl)but-2-ene?
1,2-difluoro-3-(fluoromethylsulfanyl)but-2-ene has a molecular weight of 156.17 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(fluoromethylsulfanyl)but-2-ene is sourced from PubChem (CID 123527152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).