(1E,3E)-2-ethenylsulfanyl-1-fluoropenta-1,3-diene

C7H9FS — CID 142816438

IUPAC(1E,3E)-2-ethenylsulfanyl-1-fluoropenta-1,3-diene
SMILESC=CSC(/C=C/C)=C/F
InChIInChI=1S/C7H9FS/c1-3-5-7(6-8)9-4-2/h3-6H,2H2,1H3/b5-3+,7-6+
InChIKeyDCKGUGWDRAIABH-TWTPFVCWSA-N
MW144.21 g/mol
LogP3.25
Rot. Bonds3

About (1E,3E)-2-ethenylsulfanyl-1-fluoropenta-1,3-diene

(1E,3E)-2-ethenylsulfanyl-1-fluoropenta-1,3-diene (PubChem CID 142816438) has the molecular formula C7H9FS and a molecular weight of 144.21 g/mol. Its IUPAC name is (1E,3E)-2-ethenylsulfanyl-1-fluoropenta-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-2-ethenylsulfanyl-1-fluoropenta-1,3-diene
PubChem CID142816438
Molecular FormulaC7H9FS
Molecular Weight144.21 g/mol
Exact Mass144.04
IUPAC Name(1E,3E)-2-ethenylsulfanyl-1-fluoropenta-1,3-diene
SMILESC=CSC(/C=C/C)=C/F
InChIInChI=1S/C7H9FS/c1-3-5-7(6-8)9-4-2/h3-6H,2H2,1H3/b5-3+,7-6+
InChIKeyDCKGUGWDRAIABH-TWTPFVCWSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-2-ethenylsulfanyl-1-fluoropenta-1,3-diene?
The IUPAC name of (1E,3E)-2-ethenylsulfanyl-1-fluoropenta-1,3-diene (CID 142816438) is (1E,3E)-2-ethenylsulfanyl-1-fluoropenta-1,3-diene.
What is the SMILES notation for (1E,3E)-2-ethenylsulfanyl-1-fluoropenta-1,3-diene?
The canonical SMILES for (1E,3E)-2-ethenylsulfanyl-1-fluoropenta-1,3-diene is C=CSC(/C=C/C)=C/F.
What is the InChIKey of (1E,3E)-2-ethenylsulfanyl-1-fluoropenta-1,3-diene?
The InChIKey is DCKGUGWDRAIABH-TWTPFVCWSA-N. The full InChI is InChI=1S/C7H9FS/c1-3-5-7(6-8)9-4-2/h3-6H,2H2,1H3/b5-3+,7-6+.
What are the key properties of (1E,3E)-2-ethenylsulfanyl-1-fluoropenta-1,3-diene?
(1E,3E)-2-ethenylsulfanyl-1-fluoropenta-1,3-diene has a molecular weight of 144.21 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-2-ethenylsulfanyl-1-fluoropenta-1,3-diene is sourced from PubChem (CID 142816438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).