1-fluoro-2-(2-fluoroethylsulfanyl)ethane

C4H8F2S — CID 54111079

IUPAC1-fluoro-2-(2-fluoroethylsulfanyl)ethane
SMILESFCCSCCF
InChIInChI=1S/C4H8F2S/c5-1-3-7-4-2-6/h1-4H2
InChIKeyNHCVJWPXVBHHAC-UHFFFAOYSA-N
MW126.17 g/mol
LogP1.66
Rot. Bonds4

About 1-fluoro-2-(2-fluoroethylsulfanyl)ethane

1-fluoro-2-(2-fluoroethylsulfanyl)ethane (PubChem CID 54111079) has the molecular formula C4H8F2S and a molecular weight of 126.17 g/mol. Its IUPAC name is 1-fluoro-2-(2-fluoroethylsulfanyl)ethane.

Molecular Properties

Compound Name1-fluoro-2-(2-fluoroethylsulfanyl)ethane
PubChem CID54111079
Molecular FormulaC4H8F2S
Molecular Weight126.17 g/mol
Exact Mass126.03
IUPAC Name1-fluoro-2-(2-fluoroethylsulfanyl)ethane
SMILESFCCSCCF
InChIInChI=1S/C4H8F2S/c5-1-3-7-4-2-6/h1-4H2
InChIKeyNHCVJWPXVBHHAC-UHFFFAOYSA-N
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-fluoroethylsulfanyl)ethane?
The IUPAC name of 1-fluoro-2-(2-fluoroethylsulfanyl)ethane (CID 54111079) is 1-fluoro-2-(2-fluoroethylsulfanyl)ethane.
What is the SMILES notation for 1-fluoro-2-(2-fluoroethylsulfanyl)ethane?
The canonical SMILES for 1-fluoro-2-(2-fluoroethylsulfanyl)ethane is FCCSCCF.
What is the InChIKey of 1-fluoro-2-(2-fluoroethylsulfanyl)ethane?
The InChIKey is NHCVJWPXVBHHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2S/c5-1-3-7-4-2-6/h1-4H2.
What are the key properties of 1-fluoro-2-(2-fluoroethylsulfanyl)ethane?
1-fluoro-2-(2-fluoroethylsulfanyl)ethane has a molecular weight of 126.17 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2-fluoroethylsulfanyl)ethane is sourced from PubChem (CID 54111079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).