4-(2-fluoroethylsulfanyl)buta-1,2-diene

C6H9FS — CID 91326476

IUPAC4-(2-fluoroethylsulfanyl)buta-1,2-diene
SMILESC=C=CCSCCF
InChIInChI=1S/C6H9FS/c1-2-3-5-8-6-4-7/h3H,1,4-6H2
InChIKeyLORDCLRCRKBWNN-UHFFFAOYSA-N
MW132.20 g/mol
LogP2.03
Rot. Bonds4

About 4-(2-fluoroethylsulfanyl)buta-1,2-diene

4-(2-fluoroethylsulfanyl)buta-1,2-diene (PubChem CID 91326476) has the molecular formula C6H9FS and a molecular weight of 132.20 g/mol. Its IUPAC name is 4-(2-fluoroethylsulfanyl)buta-1,2-diene.

Molecular Properties

Compound Name4-(2-fluoroethylsulfanyl)buta-1,2-diene
PubChem CID91326476
Molecular FormulaC6H9FS
Molecular Weight132.20 g/mol
Exact Mass132.04
IUPAC Name4-(2-fluoroethylsulfanyl)buta-1,2-diene
SMILESC=C=CCSCCF
InChIInChI=1S/C6H9FS/c1-2-3-5-8-6-4-7/h3H,1,4-6H2
InChIKeyLORDCLRCRKBWNN-UHFFFAOYSA-N
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 52.03
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 4-(2-fluoroethylsulfanyl)buta-1,2-diene?
The IUPAC name of 4-(2-fluoroethylsulfanyl)buta-1,2-diene (CID 91326476) is 4-(2-fluoroethylsulfanyl)buta-1,2-diene.
What is the SMILES notation for 4-(2-fluoroethylsulfanyl)buta-1,2-diene?
The canonical SMILES for 4-(2-fluoroethylsulfanyl)buta-1,2-diene is C=C=CCSCCF.
What is the InChIKey of 4-(2-fluoroethylsulfanyl)buta-1,2-diene?
The InChIKey is LORDCLRCRKBWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FS/c1-2-3-5-8-6-4-7/h3H,1,4-6H2.
What are the key properties of 4-(2-fluoroethylsulfanyl)buta-1,2-diene?
4-(2-fluoroethylsulfanyl)buta-1,2-diene has a molecular weight of 132.20 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylsulfanyl)buta-1,2-diene is sourced from PubChem (CID 91326476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).